{"id":34551,"date":"2020-08-23T08:05:11","date_gmt":"2020-08-23T00:05:11","guid":{"rendered":"\/\/www.gsbet888.com\/?p=34551"},"modified":"2020-08-19T13:42:30","modified_gmt":"2020-08-19T05:42:30","slug":"dft%e6%8c%87%e5%af%bc%e4%b8%8b%e6%89%8b%e6%80%a7%e7%a3%b7%e9%85%b8%e5%82%ac%e5%8c%96%e4%ba%9a%e7%a1%9d%e5%9f%ba%e8%90%98%e7%9a%84%e8%bd%b4%e9%80%89%e6%8b%a9%e6%80%a7%e8%8a%b3%e7%83%83%e5%8a%9f","status":"publish","type":"post","link":"\/\/www.gsbet888.com\/%e5%8c%96%e5%ad%a6%e6%9d%82%e8%ae%b0\/recentpaper\/2020\/08\/dft%e6%8c%87%e5%af%bc%e4%b8%8b%e6%89%8b%e6%80%a7%e7%a3%b7%e9%85%b8%e5%82%ac%e5%8c%96%e4%ba%9a%e7%a1%9d%e5%9f%ba%e8%90%98%e7%9a%84%e8%bd%b4%e9%80%89%e6%8b%a9%e6%80%a7%e8%8a%b3%e7%83%83%e5%8a%9f.html","title":{"rendered":"DFT\u6307\u5bfc\u4e0b\u624b\u6027\u78f7\u9178\u50ac\u5316\u4e9a\u785d\u57fa\u8418\u7684\u8f74\u9009\u62e9\u6027\u82b3\u70c3\u529f\u80fd\u5316\u53cd\u5e94"},"content":{"rendered":"<h4><strong>\u5bfc\u8bfb<\/strong><\/h4>\n<p>\u529f\u80fd\u5316\u7684\u82b3\u70c3\u9aa8\u67b6\u5316\u5408\u7269\u88ab\u5e7f\u6cdb\u5e94\u7528\u4e8e\u8bd5\u5242\u3001\u50ac\u5316\u5242\u3001\u6750\u6599\u4ee5\u53ca\u836f\u7269\u4e2d\u3002\u4eb2\u7535\u82b3\u9999\u53d6\u4ee3\u53cd\u5e94\uff08\u901a\u8fc7\u5e26\u7535\u7684Wheland\u4e2d\u95f4\u4f53\uff09\uff0c\u5982Friedel-Crafts\u53cd\u5e94\uff0c\u662f\u83b7\u53d6\u53d6\u4ee3\u82b3\u70c3\u7684\u7ecf\u5178\u65b9\u6cd5\u3002\u8fc7\u6e21\u91d1\u5c5e\u548c\u5149\u50ac\u5316\u7684\u53d1\u5c55\u4e30\u5bcc\u4e86\u5408\u6210\u5316\u5b66\u5bb6\u5236\u5907\u4e0d\u540c\u529f\u80fd\u5316\u82b3\u70c3\u9aa8\u67b6\u7684\u5de5\u5177\u7bb1<sup>[1]<\/sup>\u3002\u901a\u8fc7\u5e26\u8d1f\u7535\u8377\u7684Meisenheimer\u52a0\u5408\u7269\u529f\u80fd\u5316\u901a\u5e38\u4f9d\u8d56\u4e8e\u785d\u57fa\u53d6\u4ee3\u57fa\u3001\u6838\u82f7\u5364\u7d20\uff08X\uff09\u6216\u5916\u52a0\u6c27\u5316\u5242\uff08H\uff09\uff0c\u5176\u9002\u7528\u6027\u53d7\u5230\u9650\u5236<sup>[2]<\/sup>\u3002\u76f8\u5173\u7814\u7a76\u5df2\u7ecf\u786e\u5b9a\u03c3<sup>H<\/sup>\u52a0\u5408\u7269\u7684\u5f62\u6210\u5148\u4e8e\u03c3<sup>X<\/sup>\u52a0\u5408\u7269\u7684\u5f62\u6210\uff0c\u8fd1\u671f\uff0c\u8c2d\u658c\u8bfe\u9898\u7ec4\u5229\u7528\u4e0d\u5bf9\u79f0\u6709\u673a\u50ac\u5316<sup>[3]<\/sup>\u548c\u5076\u6c2e\u57fa\u56e2<sup>[4]<\/sup>\u6765\u83b7\u53d6\u03c3<sup>H<\/sup>\u52a0\u5408\u7269\uff0c\u5e76\u6709\u6548\u5730\u5229\u7528\u53cc\u529f\u80fd\u624b\u6027\u78f7\u9178\uff08CPA\uff09\u50ac\u5316\u5242\u5b9e\u73b0\u5bf9\u82b3\u70c3\u7684\u529f\u80fd\u5316\u3002\u5076\u6c2e\u53d6\u4ee3\u57fa\u53ef\u4ee5\u6784\u6210\u6269\u5c55\u7684\u5171\u8f6d\uff0c\u5e76\u4e14\u5176\u5438\u7535\u5b50\u80fd\u529b\u53ef\u4ee5\u786e\u4fdd\u5bf9\u82b3\u70c3\u8fdb\u884c\u533a\u57df\u9009\u62e9\u6027\u4eb2\u6838\u8fdb\u653b\u3002\u5076\u6c2e\u53d6\u4ee3\u57fa\u8fd8\u53ef\u4f5c\u4e3a\u6c27\u5316\u5242\uff0c\u4fc3\u8fdb\u03c3<sup>H<\/sup>\u52a0\u5408\u7269\u4e2d\u95f4\u4f53\u7684\u5feb\u901f\u5206\u5b50\u5185\u8f6c\u5316\u3002\u4e3a\u4e86\u8fdb\u4e00\u6b65\u6269\u5c55\u8fd9\u4e00\u6982\u5ff5\u5e76\u4e3a\u82b3\u70c3\u529f\u80fd\u5316\u63d0\u4f9b\u4e00\u4e2a\u66f4\u901a\u7528\u7684\u5408\u6210\u7b56\u7565\uff0c\u539f\u5219\u4e0a\u53ef\u4ee5\u5229\u7528\u5177\u6709\u4e0e\u5076\u6c2e\u57fa\u7c7b\u4f3c\u7535\u5b50\u6027\u8d28\u7684\u53d6\u4ee3\u57fa\u7684\u5e95\u7269\u3002<\/p>\n<p>\u501f\u52a9\u5bf9\u4e00\u7cfb\u5217\u8418\u884d\u751f\u7269\u7684\u7535\u5b50\u7ed3\u6784\u8ba1\u7b97\uff0c\u4f5c\u8005\u53d1\u73b0\u4e9a\u785d\u57fa\u57fa\u56e2\u5bf9\u8be5\u79cd\u8f6c\u5316\u5177\u6709\u5f88\u5927\u7684\u53ef\u80fd\u6027\u3002\u5728\u4e0a\u8ff0\u80cc\u666f\u7814\u7a76\u7684\u57fa\u7840\u4e0a\uff0c\u5357\u65b9\u79d1\u6280\u5927\u5b66\u8c2d\u658c\u8bfe\u9898\u7ec4\u62a5\u9053\u4e86\u5728DFT\u7684\u6307\u5bfc\u4e0b\uff0c\u5229\u7528\u624b\u6027\u78f7\u9178\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u53ef\u5728\u6e29\u548c\u7684\u53cd\u5e94\u6761\u4ef6\u4e0b\uff0c\u5b9e\u73b0\u542b\u6709\u5432\u54da\uff08\u8418\u915a\uff09\u9aa8\u67b6\u7684\u5316\u5408\u7269\u4e0e\u4e9a\u785d\u57fa\u8418\u53cd\u5e94\uff0c\u5747\u4ee5\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\u5f97\u5230\u4e0d\u540c\u8f74\u624b\u6027\u5316\u5408\u7269\uff08\u56fe1\uff09\u3002 \u76f8\u5173\u6210\u679c\u53d1\u8868\u4e8e\uff1a<\/p>\n<blockquote><p>DFT-Guided Phosphoric-Acid-Catalyzed Atroposelective Arene Functionalization of Nitrosonaphthalene<\/p>\n<p>Wei-Yi Ding, Peiyuan Yu, Qian-Jin An, Katherine L. Bay, Shao-Hua Xiang, Shaoyu Li, Ying Chen, K.N. Houk,* and Bin Tan* <em>Chem<\/em> \u00a0<strong>2020<\/strong>,<em> 6<\/em>, 1-14. DOI: <a href=\"https:\/\/www.cell.com\/chem\/fulltext\/S2451-9294(20)30250-3\"><u>10.1016\/j.chempr.2020.06.001<\/u><\/a><\/p><\/blockquote>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34553 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29.jpg\" alt=\"\" width=\"1139\" height=\"1135\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29.jpg 1139w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29-300x300.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29-680x678.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29-150x150.jpg 150w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29-768x765.jpg 768w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/1-29-120x120.jpg 120w\" sizes=\"(max-width: 1139px) 100vw, 1139px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u56fe1. DFT\u6307\u5bfc\u7684\u57fa\u4e8e\u4e9a\u785d\u57fa\u8418\u6784\u7b51\u8f74\u624b\u6027\u5316\u5408\u7269<\/p>\n<h4><strong>\u8bba\u6587\u6982\u8981<\/strong><\/h4>\n<p>\u4f5c\u8005\u9996\u5148\u8bbe\u8ba1\u4e86\u4e00\u7cfb\u5217\u53d6\u4ee3\u8418\u5e76\u8fdb\u884c\u4e86\u521d\u6b65\u7684\u8ba1\u7b97\u7b5b\u9009\uff0c\u4ee5\u5bfb\u627e\u6700\u4f73\u7684\u53d6\u4ee3\u8418\u4f5c\u4e3a\u50ac\u5316\u4e0d\u5bf9\u79f0\u4eb2\u6838\u82b3\u9999\u53d6\u4ee3\u7684\u6a21\u578b\u5e95\u7269\u3002\u901a\u8fc7\u5bf9\u7535\u5b50\u4eb2\u548c\u52bf\uff08EA\uff09\u3001\u6700\u4f4e\u7a7a\u8f68\u9053\uff08LUMO\uff09\u80fd\u91cf\u7b49\u8ba1\u7b97\uff0c\u53d1\u73b0\u4e9a\u785d\u57fa\u8418\u5177\u6709\u5f88\u597d\u7684\u53cd\u5e94\u6f5c\u529b\u3002\u4ee5\u4e0b\u662f\u5176\u4e3b\u8981\u7814\u7a76\u5185\u5bb9\uff1a<\/p>\n<p>A\uff1a\u4e9a\u785d\u57fa\u8418-\u5432\u54da\u9aa8\u67b6\u8f74\u624b\u6027\u5316\u5408\u7269\uff1a\u9996\u5148\uff0c\u4ee52-\u4e9a\u785d\u57fa\u8418<strong>1a<\/strong>\u4e0e\u53d4\u4e01\u57fa\u53d6\u4ee3\u7684\u5432\u54da<strong>2a<\/strong>\u4e3a\u6a21\u677f\u5e95\u7269\uff0c\u57285 mol% CPA(<em>S<\/em>)-<strong>C1<\/strong>\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5\u4e8c\u6c2f\u7532\u70f7\u4f5c\u4e3a\u6eb6\u5242\uff0c\u53ef\u5728\u5ba4\u6e29\u4e0b\u8fdb\u884c\u53cd\u5e94\uff0c\u4ea7\u7269<strong>3a<\/strong>\u5e76\u6ca1\u6709\u5f97\u5230\uff0c\u4f46\u83b7\u5f97\u6c27\u5316\u4ea7\u7269<strong>4a<\/strong>\uff08\u6536\u738712%\uff0c<em>ee<\/em>\u4e3a62%\uff09\u548c<strong>5a<\/strong>\uff08\u6536\u738718%\uff0c<em>ee<\/em>\u4e3a65%\uff09\uff08\u88681, entry 1\uff09\u3002\u901a\u8fc7\u5bf9\u50ac\u5316\u5242\u3001\u6c27\u5316\u5242\u3001\u6eb6\u5242\u7b49\u6761\u4ef6\u7684\u7b5b\u9009\uff0c\u6700\u7ec8\u4f5c\u8005\u4ee51 mol%\u7684(<em>S<\/em>)-<strong>C4<\/strong>\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5<strong>O3<\/strong>\u4f5c\u4e3a\u6c27\u5316\u5242\uff0c\u5728\u4e8c\u6c2f\u7532\u70f7\u4e2d\u5ba4\u6e29\u53cd\u5e94\u4e3a\u6700\u4f18\u6761\u4ef6\uff08\u88681, entry 18\uff09\u3002<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/2-25.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34554 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/2-25.jpg\" alt=\"\" width=\"1238\" height=\"1179\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/2-25.jpg 1238w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/2-25-300x286.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/2-25-680x648.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/2-25-768x731.jpg 768w\" sizes=\"(max-width: 1238px) 100vw, 1238px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u88681. \u6761\u4ef6\u7b5b\u9009<\/p>\n<p>\u5728\u83b7\u5f97\u4e0a\u8ff0\u6700\u4f18\u53cd\u5e94\u6761\u4ef6\u540e\uff0c\u4f5c\u8005\u9996\u5148\u5bf92-\u4e9a\u785d\u57fa\u8418\u5e95\u7269\u8fdb\u884c\u4e86\u62d3\u5c55\u7814\u7a76\u3002\u5404\u79cd7-\u4f4d\u62168-\u4f4d\u4e0d\u540c\u57fa\u56e2\u53d6\u4ee3\u76842-\u4e9a\u785d\u57fa\u8418\u5747\u80fd\u8f83\u597d\u5730\u9002\u5e94\u4e0a\u8ff0\u6700\u4f73\u7684\u53cd\u5e94\u6761\u4ef6\uff0c\u5e76\u4ee5\u4f18\u79c0\u7684\u6536\u7387\u548c\u5bf9\u6620\u9009\u62e9\u6027\uff08\u5747\uff1e95%<em> ee<\/em>\uff09\u5f97\u5230\u76f8\u5e94\u4ea7\u7269\uff08\u56fe 2 A\uff09\u3002\u540c\u65f6\uff0c\u4f5c\u8005\u4e5f\u5bf9\u5177\u6709\u4e0d\u540c\u53d6\u4ee3\u57fa\u7684\u5432\u54da\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7684\u7814\u7a76\uff0c\u5f53\u5432\u54da2-\u4f4d\u53d4\u4e01\u57fa\u6362\u4e3a\u5176\u4ed6\u4f4d\u963b\u8f83\u5927\u7684\u70f7\u57fa\u53d6\u4ee3\u57fa\u65f6\uff0c\u5747\u4ee5\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\u5f97\u5230\u76ee\u6807\u4ea7\u7269\uff0c\u4f46\u662f\uff0c\u5f53\u53d4\u4e01\u57fa\u6362\u4e3a\u5176\u4ed6\u4f4d\u963b\u8f83\u5c0f\u7684\u70f7\u57fa\u53d6\u4ee3\u57fa\u6216\u8005\u82ef\u57fa\u65f6\uff0c\u4ea7\u7269\u5728\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u5df2\u7ecf\u6d88\u65cb\u5316\u3002\u56e0\u6b64\uff0c\u4f5c\u8005\u5728\u5432\u54da4-\u4f4d\u5f15\u5165\u7532\u57fa\uff0c\u4e142-\u4f4d\u4e3a\u82ef\u57fa\u6216\u8005\u7532\u57fa\u53d6\u4ee3\u65f6\uff0c\u8fdb\u884c\u4e86\u65b0\u7684\u6761\u4ef6\u63a2\u7d22\uff0c\u5f53\u4ee5CPA(<em>S<\/em>)-<strong>C20<\/strong>\u4e3a\u50ac\u5316\u5242\uff0c\u5747\u80fd\u83b7\u5f97\u4e2d\u7b49\u6536\u7387\u4ee5\u53ca\u826f\u597d\u5bf9\u6620\u9009\u62e9\u6027\u7684\u76ee\u6807\u4ea7\u7269\uff08\u56fe 2 B\uff09\u3002<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-scaled.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34555 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-scaled.jpg\" alt=\"\" width=\"2560\" height=\"1836\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-scaled.jpg 2560w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-300x215.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-680x488.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-768x551.jpg 768w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-1536x1101.jpg 1536w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/3-26-2048x1469.jpg 2048w\" sizes=\"(max-width: 2560px) 100vw, 2560px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u56fe2 A \u4e0d\u540c\u53d6\u4ee3\u76842-\u4e9a\u785d\u57fa\u8418\u62d3\u5c55\u7814\u7a76<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-scaled.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34556 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-scaled.jpg\" alt=\"\" width=\"2560\" height=\"1918\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-scaled.jpg 2560w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-300x225.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-680x510.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-768x576.jpg 768w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-1536x1151.jpg 1536w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/4-21-2048x1535.jpg 2048w\" sizes=\"(max-width: 2560px) 100vw, 2560px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u56fe2 B \u4e0d\u540c\u53d6\u4ee3\u7684\u5432\u54da\u62d3\u5c55\u7814\u7a76<\/p>\n<p>B.\u82ef\u80fa-\u5432\u54da\u9aa8\u67b6\u8f74\u624b\u6027\u5316\u5408\u7269\uff1a\u4e4b\u540e\uff0c\u4f5c\u8005\u5bf9\u76ee\u6807\u5316\u5408\u7269<strong>5<\/strong>\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7814\u7a76\u3002\u9996\u5148\uff0c\u4ee52-\u4e9a\u785d\u57fa\u8418<strong>1a<\/strong>\u4e0e\u53d4\u4e01\u57fa\u53d6\u4ee3\u7684\u5432\u54da<strong>2a<\/strong>\u4e3a\u6a21\u677f\u5e95\u7269\uff0c\u4ee55 mol% CPA(<em>S<\/em>)-<strong>C4<\/strong>\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5\u4e8c\u6c2f\u7532\u70f7\u4f5c\u4e3a\u6eb6\u5242\uff0c\u5728\u5ba4\u6e29\u4e0b\u8fdb\u884c\u53cd\u5e94\uff0c\u53ef\u83b7\u5f9748%\u6536\u7387\u4ee5\u53ca98% <em>ee<\/em>\u7684\u4ea7\u7269<strong>5a<\/strong>\uff08\u88682, entry 1\uff09\u3002\u901a\u8fc7\u5bf9\u6eb6\u5242\u3001\u50ac\u5316\u5242\u3001\u5e95\u7269\u7684\u6bd4\u4f8b\u7b49\u6761\u4ef6\u7b5b\u9009\uff0c\u6700\u7ec8\u4f5c\u8005\u4ee55 mol%\u7684(<em>S<\/em>)-<strong>C4<\/strong>\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5\u4e59\u9178\u4e59\u916f\u4f5c\u4e3a\u6eb6\u5242\uff0c\u4ee5\u4e24\u500d\u5f53\u91cf\u7684<strong>1a<\/strong>\u4e0b\u8fdb\u884c\u5ba4\u6e29\u53cd\u5e94\u4e3a\u6700\u4f18\u6761\u4ef6\uff0c\u8fdb\u884c\u5e95\u7269\u62d3\u5c55\u7814\u7a76\uff08\u88682, entry 14\uff09\u3002<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/5-18.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34557 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/5-18.jpg\" alt=\"\" width=\"1241\" height=\"1015\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/5-18.jpg 1241w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/5-18-300x245.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/5-18-680x556.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/5-18-768x628.jpg 768w\" sizes=\"(max-width: 1241px) 100vw, 1241px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u88682\u82ef\u80fa-\u5432\u54da\u9aa8\u67b6\u8f74\u624b\u6027\u5316\u5408\u7269\u6761\u4ef6\u7b5b\u9009<\/p>\n<p>\u5728\u6700\u4f18\u53cd\u5e94\u6761\u4ef6\u4e0b\uff0c\u4f5c\u8005\u9996\u5148\u5bf92-\u4e9a\u785d\u57fa\u8418\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7814\u7a76\u3002\u5404\u79cd7-\u4f4d\u62168-\u4f4d\u4e0d\u540c\u57fa\u56e2\u53d6\u4ee3\u76842-\u4e9a\u785d\u57fa\u8418\u5747\u80fd\u8f83\u597d\u5730\u9002\u5e94\u4e0a\u8ff0\u6700\u4f73\u7684\u53cd\u5e94\u6761\u4ef6\uff0c\u4ece\u800c\u4ee5\u4e2d\u7b49\u81f3\u826f\u597d\u7684\u6536\u7387\u548c\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\uff08\u5747\uff1e97% <em>ee<\/em>\uff09\u5f97\u5230\u76f8\u5e94\u4ea7\u7269\uff08\u56fe3 A\uff09\u3002\u540c\u65f6\uff0c\u4f5c\u8005\u4e5f\u5bf9\u5177\u6709\u4e0d\u540c\u53d6\u4ee3\u57fa\u7684\u5432\u54da\u8fdb\u884c\u4e86\u7684\u5e95\u7269\u62d3\u5c55\u7814\u7a76\uff0c\u4e0d\u540c\u4f4d\u7f6e\u3001\u4e0d\u540c\u7535\u6027\u53d6\u4ee3\u57fa\u7684\u5432\u54da\u5747\u80fd\u5f88\u597d\u7684\u9002\u5e94\u8be5\u53cd\u5e94\u3002\u5f53\u5432\u54da2\u4f4d\u53d4\u4e01\u57fa\u6362\u4e3a\u5176\u4ed6\u70f7\u57fa\u53d6\u4ee3\u57fa\u65f6\uff0c\u5747\u80fd\u4ee5\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\u5f97\u5230\u76ee\u6807\u4ea7\u7269\uff08\u56fe3 B\uff09\u3002<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/6-16.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34558 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/6-16.jpg\" alt=\"\" width=\"1025\" height=\"735\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/6-16.jpg 1025w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/6-16-300x215.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/6-16-680x488.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/6-16-768x551.jpg 768w\" sizes=\"(max-width: 1025px) 100vw, 1025px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u56fe3 A\u4e0d\u540c\u53d6\u4ee3\u76842-\u4e9a\u785d\u57fa\u8418\u62d3\u5c55<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/7-15.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34559 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/7-15.jpg\" alt=\"\" width=\"1009\" height=\"381\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/7-15.jpg 1009w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/7-15-300x113.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/7-15-680x257.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/7-15-768x290.jpg 768w\" sizes=\"(max-width: 1009px) 100vw, 1009px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u56fe3 B\u4e0d\u540c\u53d6\u4ee3\u7684\u5432\u54da\u62d3\u5c55\u7814\u7a76<\/p>\n<p>NOBIN\u8f74\u624b\u6027\u5316\u5408\u7269\uff1a\u6b64\u5916\uff0c\u4f5c\u8005\u5bf9NOBIN\u7c7b\u76ee\u6807\u5316\u5408\u7269\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7814\u7a76\uff08\u56fe4\uff09\u3002\u9996\u5148\uff0c\u4ee52-\u4e9a\u785d\u57fa\u8418<strong>1a<\/strong>\u4e0e7-\u7532\u6c27\u57fa-2-\u8418\u915a<strong>6a<\/strong>\u4e3a\u6a21\u677f\u5e95\u7269\uff0c\u4ee510 mol% CPA(<em>R<\/em>)-<strong>C10<\/strong>\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5\u4e8c\u6c2f\u7532\u70f7\u4f5c\u4e3a\u6eb6\u5242\uff0cDIDA\u4f5c\u4e3a\u6c27\u5316\u5242\uff0c\u5728-30 \u00b0C\u4e0b\u8fdb\u884c\u53cd\u5e94\uff0c\u5e76\u7ecf\u8fc7\u8fde\u7eed\u7684\u6c22\u5316\u8fc7\u7a0b\uff0c\u83b7\u5f97\u4ea7\u7269<strong>7a<\/strong>\uff08\u6536\u738759%\uff0c <em>ee<\/em>\u4e3a87%\uff09\u3002\u4f5c\u8005\u8fdb\u4e00\u6b65\u5bf9\u5177\u6709\u4e0d\u540c\u53d6\u4ee3\u57fa\u76842-\u4e9a\u785d\u57fa\u8418\u4e0e2-\u8418\u915a\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7814\u7a76\uff0c\u5747\u4ee5\u4e2d\u7b49\u81f3\u826f\u597d\u7684\u6536\u7387\uff0850-80%\uff09\u4ee5\u53ca\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\u83b7\u5f97\u76f8\u5e94\u7684\u76ee\u6807\u4ea7\u7269\uff0884-93%<em> ee<\/em>\uff09\u3002<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/8-12.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34560 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/8-12.jpg\" alt=\"\" width=\"1039\" height=\"893\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/8-12.jpg 1039w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/8-12-300x258.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/8-12-680x584.jpg 680w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/8-12-768x660.jpg 768w\" sizes=\"(max-width: 1039px) 100vw, 1039px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u56fe4 NOBIN\u62d3\u5c55\u7814\u7a76<\/p>\n<p>D\uff1a\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\uff1a\u4f5c\u8005\u63d0\u51fa\u4e86\u53ef\u80fd\u7684\u53cd\u5e94\u673a\u7406\uff0c\u5e76\u8fdb\u884c\u4e86\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\uff08\u56fe5\uff09\u3002\u5728\u624b\u6027\u78f7\u9178\u50ac\u5316\u4e0b\uff0c\u5432\u54da\u4eb2\u6838\u8fdb\u653b2-\u4e9a\u785d\u57fa\u8418\uff0c\u751f\u6210\u4e0d\u7a33\u5b9a\u7684\u03c3<sup>H<\/sup>\u52a0\u5408\u7269\u4e2d\u95f4\u4f53\uff0c\u7ecf\u8fc7\u8fc5\u901f\u7684\u5206\u5b50\u5185\u8f6c\u5316\uff0c\u751f\u6210\u4e2d\u95f4\u4f53<strong>I<\/strong>\u3002\u8fdb\u4e00\u6b65\u7684\u82b3\u6784\u5316\u751f\u6210\u4e2d\u95f4\u4f53<strong>II<\/strong>\uff0c\u5728\u6c27\u5316\u5242\u7684\u5b58\u5728\u4e0b\uff0c\u53ef\u4ee5\u5f97\u5230\u76ee\u6807\u4ea7\u7269<strong>4a<\/strong>\u3002\u4e2d\u95f4\u4f53<strong>II<\/strong>\u7ecf\u8fc7\u8fdb\u4e00\u6b65\u7684\u73af\u5316\u53cd\u5e94\u53ef\u4ee5\u751f\u6210\u4e2d\u95f4\u4f53<strong>III<\/strong>\uff0c\u7ecf\u8fc7<em>\u03b2<\/em>-H\u6d88\u9664\uff0c\u53ef\u4ee5\u5f97\u5230\u76ee\u6807\u4ea7\u7269<strong>5a<\/strong>\u3002\u4f5c\u8005\u5bf9\u53cd\u5e94\u8fc7\u7a0b\u8fdb\u884c\u4e86\u8be6\u7ec6\u7684\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\uff0c\u5bf9\u6211\u4eec\u8ba4\u8bc6\u53cd\u5e94\u8fc7\u7a0b\u6709\u6781\u5927\u7684\u5e2e\u52a9\u3002<\/p>\n<p><a href=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/9-4.jpg\"><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-34561 size-full\" src=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/9-4.jpg\" alt=\"\" width=\"732\" height=\"507\" srcset=\"https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/9-4.jpg 732w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/9-4-300x208.jpg 300w, https:\/\/assets.www.gsbet888.com\/uploads\/2020\/08\/9-4-680x471.jpg 680w\" sizes=\"(max-width: 732px) 100vw, 732px\" \/><\/a><\/p>\n<p style=\"text-align: center;\">\u56fe5 \u53ef\u80fd\u7684\u50ac\u5316\u5faa\u73af<\/p>\n<h4><strong>\u8bba\u6587\u603b\u7ed3\u8bc4\u4ef7<\/strong><\/h4>\n<p>\u5357\u65b9\u79d1\u6280\u5927\u5b66\u8c2d\u658c\u8bfe\u9898\u7ec4\u62a5\u9053\u4e86\u5728DFT\u7684\u6307\u5bfc\u4e0b\uff0c\u5229\u7528\u624b\u6027\u78f7\u9178\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u53ef\u5728\u6e29\u548c\u7684\u6761\u4ef6\u4e0b\u53cd\u5e94\uff0c\u5b9e\u73b0\u5432\u54da\uff08\u8418\u915a\uff09\u9aa8\u67b6\u5316\u5408\u7269\u4e0e\u4e9a\u785d\u57fa\u8418\u7684\u53cd\u5e94\uff0c\u5e76\u83b7\u5f97\u4f18\u5f02\u5bf9\u6620\u9009\u62e9\u6027\u7684\u8f74\u624b\u6027\u5316\u5408\u7269\uff0c\u5982\u4e9a\u785d\u57fa\u8418-\u5432\u54da\u9aa8\u67b6\u3001\u82ef\u80fa-\u5432\u54da\u9aa8\u67b6\u4ee5\u53caNOBIN\u9aa8\u67b6\u7b49\u8f74\u624b\u6027\u5316\u5408\u7269\u3002\u6b64\u5916\uff0c\u4f5c\u8005\u63d0\u51fa\u4e86\u53ef\u80fd\u7684\u50ac\u5316\u5faa\u73af\u673a\u7406\uff0c\u5e76\u5bf9\u53cd\u5e94\u8fc7\u7a0b\u7684\u8be6\u7ec6\u673a\u7406\u8fdb\u884c\u4e86\u76f8\u5173\u7684\u7406\u8bba\u8ba1\u7b97\u7814\u7a76\u3002<\/p>\n<h4><strong>\u53c2\u8003\u6587\u732e<\/strong><\/h4>\n<ul>\n<li>[1] Wang, P. Verma, G. Xia, J. Shi, J. X. Qiao, S. Tao, P. T. W. Cheng, M. A. Poss, M. E. Farmer, K. S. Yeung, and J.-Q. Yu, <em>Nature<\/em> <strong>2017<\/strong>, <em>551<\/em>, 489-493. DOI: 10.1038\/nature24632<\/li>\n<li>[2] S. S. Wilson, M. S. Hill, M. F. Mahon, C. Dinoi, and L. Maron, <em>Science<\/em> <strong>2017<\/strong>, <em>358<\/em>, 1168-1171. DOI: <u>10.1126\/science.aao5923<\/u><\/li>\n<li>[3] W. C. MacMillan, <em>Nature <\/em><strong>2008<\/strong>, <em>455<\/em>, 304-308. DOI: <u>10.1038\/nature07367<\/u><\/li>\n<li>[4] W. Qi, J. H. Mao, J. Zhang, and B. Tan, <em>Nat. Chem. <\/em><strong>2018<\/strong>, <em>10<\/em>, 58-64. DOI: <u>10.1038\/NCHEM.2866<\/u><\/li>\n<\/ul>\n<p>\u672c\u6587\u7248\u6743\u5c5e\u4e8e<strong>\u00a0<a href=\"\/\/www.gsbet888.com\/\">Chem-Station\u5316\u5b66\u7a7a\u95f4<\/a>\uff0c<\/strong>\u00a0\u6b22\u8fce\u70b9\u51fb\u6309\u94ae\u5206\u4eab\uff0c\u672a\u7ecf\u8bb8\u53ef\uff0c\u8c22\u7edd\u8f6c\u8f7d\uff01<\/p>\n","protected":false},"excerpt":{"rendered":"\u5bfc\u8bfb \u529f\u80fd\u5316\u7684\u82b3\u70c3\u9aa8\u67b6\u5316\u5408\u7269\u88ab\u5e7f\u6cdb\u5e94\u7528\u4e8e\u8bd5\u5242\u3001\u50ac\u5316\u5242\u3001\u6750\u6599\u4ee5\u53ca\u836f\u7269\u4e2d\u3002\u4eb2\u7535\u82b3\u9999\u53d6\u4ee3\u53cd\u5e94\uff08\u901a\u8fc7\u5e26\u7535\u7684Wheland\u4e2d\u95f4\u4f53\uff09\uff0c\u5982Friedel-Crafts\u53cd\u5e94\uff0c\u662f\u83b7\u53d6\u53d6\u4ee3\u82b3\u70c3\u7684\u7ecf\u5178\u65b9\u6cd5\u3002\u8fc7\u6e21\u91d1\u5c5e\u548c\u5149\u50ac\u5316\u7684\u53d1\u5c55\u4e30\u5bcc\u4e86\u5408\u6210\u5316\u5b66\u5bb6\u5236\u5907\u4e0d\u540c\u529f\u80fd\u5316\u82b3\u70c3\u9aa8\u67b6\u7684\u5de5\u5177\u7bb1[1]\u3002\u901a\u8fc7\u5e26\u8d1f\u7535\u8377\u7684Meisenheimer\u52a0\u5408\u7269\u529f\u80fd\u5316\u901a\u5e38\u4f9d\u8d56\u4e8e\u785d\u57fa\u53d6\u4ee3\u57fa\u3001\u6838\u82f7\u5364\u7d20\uff08X\uff09\u6216\u5916\u52a0\u6c27\u5316\u5242\uff08H\uff09\uff0c\u5176\u9002\u7528\u6027\u53d7\u5230\u9650\u5236[2]\u3002\u76f8\u5173\u7814\u7a76\u5df2\u7ecf\u786e\u5b9a\u03c3H\u52a0\u5408\u7269\u7684\u5f62\u6210\u5148\u4e8e\u03c3X\u52a0\u5408\u7269\u7684\u5f62\u6210\uff0c\u8fd1\u671f\uff0c\u8c2d\u658c\u8bfe\u9898\u7ec4\u5229\u7528\u4e0d\u5bf9\u79f0\u6709\u673a\u50ac\u5316[3]\u548c\u5076\u6c2e\u57fa\u56e2[4]\u6765\u83b7\u53d6\u03c3H\u52a0\u5408\u7269\uff0c\u5e76\u6709\u6548\u5730\u5229\u7528\u53cc\u529f\u80fd\u624b\u6027\u78f7\u9178\uff08CPA\uff09\u50ac\u5316\u5242\u5b9e\u73b0\u5bf9\u82b3\u70c3\u7684\u529f\u80fd\u5316\u3002\u5076\u6c2e\u53d6\u4ee3\u57fa\u53ef\u4ee5\u6784\u6210\u6269\u5c55\u7684\u5171\u8f6d\uff0c\u5e76\u4e14\u5176\u5438\u7535\u5b50\u80fd\u529b\u53ef\u4ee5\u786e\u4fdd\u5bf9\u82b3\u70c3\u8fdb\u884c\u533a\u57df\u9009\u62e9\u6027\u4eb2\u6838\u8fdb\u653b\u3002\u5076\u6c2e\u53d6\u4ee3\u57fa\u8fd8\u53ef\u4f5c\u4e3a\u6c27\u5316\u5242\uff0c\u4fc3\u8fdb\u03c3H\u52a0\u5408\u7269\u4e2d\u95f4\u4f53\u7684\u5feb\u901f\u5206\u5b50\u5185\u8f6c\u5316\u3002\u4e3a\u4e86\u8fdb\u4e00\u6b65\u6269\u5c55\u8fd9\u4e00\u6982\u5ff5\u5e76\u4e3a\u82b3\u70c3\u529f\u80fd\u5316\u63d0\u4f9b\u4e00\u4e2a\u66f4\u901a\u7528\u7684\u5408\u6210\u7b56\u7565\uff0c\u539f\u5219\u4e0a\u53ef\u4ee5\u5229\u7528\u5177\u6709\u4e0e\u5076\u6c2e\u57fa\u7c7b\u4f3c\u7535\u5b50\u6027\u8d28\u7684\u53d6\u4ee3\u57fa\u7684\u5e95\u7269\u3002 \u501f\u52a9\u5bf9\u4e00\u7cfb\u5217\u8418\u884d\u751f\u7269\u7684\u7535\u5b50\u7ed3\u6784\u8ba1\u7b97\uff0c\u4f5c\u8005\u53d1\u73b0\u4e9a\u785d\u57fa\u57fa\u56e2\u5bf9\u8be5\u79cd\u8f6c\u5316\u5177\u6709\u5f88\u5927\u7684\u53ef\u80fd\u6027\u3002\u5728\u4e0a\u8ff0\u80cc\u666f\u7814\u7a76\u7684\u57fa\u7840\u4e0a\uff0c\u5357\u65b9\u79d1\u6280\u5927\u5b66\u8c2d\u658c\u8bfe\u9898\u7ec4\u62a5\u9053\u4e86\u5728DFT\u7684\u6307\u5bfc\u4e0b\uff0c\u5229\u7528\u624b\u6027\u78f7\u9178\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u53ef\u5728\u6e29\u548c\u7684\u53cd\u5e94\u6761\u4ef6\u4e0b\uff0c\u5b9e\u73b0\u542b\u6709\u5432\u54da\uff08\u8418\u915a\uff09\u9aa8\u67b6\u7684\u5316\u5408\u7269\u4e0e\u4e9a\u785d\u57fa\u8418\u53cd\u5e94\uff0c\u5747\u4ee5\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\u5f97\u5230\u4e0d\u540c\u8f74\u624b\u6027\u5316\u5408\u7269\uff08\u56fe1\uff09\u3002 \u76f8\u5173\u6210\u679c\u53d1\u8868\u4e8e\uff1a DFT-Guided Phosphoric-Acid-Catalyzed Atroposelective Arene Functionalization of Nitrosonaphthalene Wei-Yi Ding, Peiyuan Yu, Qian-Jin An, Katherine L. Bay, Shao-Hua Xiang, Shaoyu Li, Ying Chen, K.N. Houk,* and Bin Tan* Chem \u00a02020, 6, 1-14. DOI: 10.1016\/j.chempr.2020.06.001 \u56fe1. DFT\u6307\u5bfc\u7684\u57fa\u4e8e\u4e9a\u785d\u57fa\u8418\u6784\u7b51\u8f74\u624b\u6027\u5316\u5408\u7269 \u8bba\u6587\u6982\u8981 \u4f5c\u8005\u9996\u5148\u8bbe\u8ba1\u4e86\u4e00\u7cfb\u5217\u53d6\u4ee3\u8418\u5e76\u8fdb\u884c\u4e86\u521d\u6b65\u7684\u8ba1\u7b97\u7b5b\u9009\uff0c\u4ee5\u5bfb\u627e\u6700\u4f73\u7684\u53d6\u4ee3\u8418\u4f5c\u4e3a\u50ac\u5316\u4e0d\u5bf9\u79f0\u4eb2\u6838\u82b3\u9999\u53d6\u4ee3\u7684\u6a21\u578b\u5e95\u7269\u3002\u901a\u8fc7\u5bf9\u7535\u5b50\u4eb2\u548c\u52bf\uff08EA\uff09\u3001\u6700\u4f4e\u7a7a\u8f68\u9053\uff08LUMO\uff09\u80fd\u91cf\u7b49\u8ba1\u7b97\uff0c\u53d1\u73b0\u4e9a\u785d\u57fa\u8418\u5177\u6709\u5f88\u597d\u7684\u53cd\u5e94\u6f5c\u529b\u3002\u4ee5\u4e0b\u662f\u5176\u4e3b\u8981\u7814\u7a76\u5185\u5bb9\uff1a A\uff1a\u4e9a\u785d\u57fa\u8418-\u5432\u54da\u9aa8\u67b6\u8f74\u624b\u6027\u5316\u5408\u7269\uff1a\u9996\u5148\uff0c\u4ee52-\u4e9a\u785d\u57fa\u84181a\u4e0e\u53d4\u4e01\u57fa\u53d6\u4ee3\u7684\u5432\u54da2a\u4e3a\u6a21\u677f\u5e95\u7269\uff0c\u57285 mol% CPA(S)-C1\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5\u4e8c\u6c2f\u7532\u70f7\u4f5c\u4e3a\u6eb6\u5242\uff0c\u53ef\u5728\u5ba4\u6e29\u4e0b\u8fdb\u884c\u53cd\u5e94\uff0c\u4ea7\u72693a\u5e76\u6ca1\u6709\u5f97\u5230\uff0c\u4f46\u83b7\u5f97\u6c27\u5316\u4ea7\u72694a\uff08\u6536\u738712%\uff0cee\u4e3a62%\uff09\u548c5a\uff08\u6536\u738718%\uff0cee\u4e3a65%\uff09\uff08\u88681, entry 1\uff09\u3002\u901a\u8fc7\u5bf9\u50ac\u5316\u5242\u3001\u6c27\u5316\u5242\u3001\u6eb6\u5242\u7b49\u6761\u4ef6\u7684\u7b5b\u9009\uff0c\u6700\u7ec8\u4f5c\u8005\u4ee51 mol%\u7684(S)-C4\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5O3\u4f5c\u4e3a\u6c27\u5316\u5242\uff0c\u5728\u4e8c\u6c2f\u7532\u70f7\u4e2d\u5ba4\u6e29\u53cd\u5e94\u4e3a\u6700\u4f18\u6761\u4ef6\uff08\u88681, entry 18\uff09\u3002 \u88681. \u6761\u4ef6\u7b5b\u9009 \u5728\u83b7\u5f97\u4e0a\u8ff0\u6700\u4f18\u53cd\u5e94\u6761\u4ef6\u540e\uff0c\u4f5c\u8005\u9996\u5148\u5bf92-\u4e9a\u785d\u57fa\u8418\u5e95\u7269\u8fdb\u884c\u4e86\u62d3\u5c55\u7814\u7a76\u3002\u5404\u79cd7-\u4f4d\u62168-\u4f4d\u4e0d\u540c\u57fa\u56e2\u53d6\u4ee3\u76842-\u4e9a\u785d\u57fa\u8418\u5747\u80fd\u8f83\u597d\u5730\u9002\u5e94\u4e0a\u8ff0\u6700\u4f73\u7684\u53cd\u5e94\u6761\u4ef6\uff0c\u5e76\u4ee5\u4f18\u79c0\u7684\u6536\u7387\u548c\u5bf9\u6620\u9009\u62e9\u6027\uff08\u5747\uff1e95% ee\uff09\u5f97\u5230\u76f8\u5e94\u4ea7\u7269\uff08\u56fe 2 A\uff09\u3002\u540c\u65f6\uff0c\u4f5c\u8005\u4e5f\u5bf9\u5177\u6709\u4e0d\u540c\u53d6\u4ee3\u57fa\u7684\u5432\u54da\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7684\u7814\u7a76\uff0c\u5f53\u5432\u54da2-\u4f4d\u53d4\u4e01\u57fa\u6362\u4e3a\u5176\u4ed6\u4f4d\u963b\u8f83\u5927\u7684\u70f7\u57fa\u53d6\u4ee3\u57fa\u65f6\uff0c\u5747\u4ee5\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\u5f97\u5230\u76ee\u6807\u4ea7\u7269\uff0c\u4f46\u662f\uff0c\u5f53\u53d4\u4e01\u57fa\u6362\u4e3a\u5176\u4ed6\u4f4d\u963b\u8f83\u5c0f\u7684\u70f7\u57fa\u53d6\u4ee3\u57fa\u6216\u8005\u82ef\u57fa\u65f6\uff0c\u4ea7\u7269\u5728\u53cd\u5e94\u8fc7\u7a0b\u4e2d\u5df2\u7ecf\u6d88\u65cb\u5316\u3002\u56e0\u6b64\uff0c\u4f5c\u8005\u5728\u5432\u54da4-\u4f4d\u5f15\u5165\u7532\u57fa\uff0c\u4e142-\u4f4d\u4e3a\u82ef\u57fa\u6216\u8005\u7532\u57fa\u53d6\u4ee3\u65f6\uff0c\u8fdb\u884c\u4e86\u65b0\u7684\u6761\u4ef6\u63a2\u7d22\uff0c\u5f53\u4ee5CPA(S)-C20\u4e3a\u50ac\u5316\u5242\uff0c\u5747\u80fd\u83b7\u5f97\u4e2d\u7b49\u6536\u7387\u4ee5\u53ca\u826f\u597d\u5bf9\u6620\u9009\u62e9\u6027\u7684\u76ee\u6807\u4ea7\u7269\uff08\u56fe 2 B\uff09\u3002 \u56fe2 A \u4e0d\u540c\u53d6\u4ee3\u76842-\u4e9a\u785d\u57fa\u8418\u62d3\u5c55\u7814\u7a76 \u56fe2 B \u4e0d\u540c\u53d6\u4ee3\u7684\u5432\u54da\u62d3\u5c55\u7814\u7a76 B.\u82ef\u80fa-\u5432\u54da\u9aa8\u67b6\u8f74\u624b\u6027\u5316\u5408\u7269\uff1a\u4e4b\u540e\uff0c\u4f5c\u8005\u5bf9\u76ee\u6807\u5316\u5408\u72695\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7814\u7a76\u3002\u9996\u5148\uff0c\u4ee52-\u4e9a\u785d\u57fa\u84181a\u4e0e\u53d4\u4e01\u57fa\u53d6\u4ee3\u7684\u5432\u54da2a\u4e3a\u6a21\u677f\u5e95\u7269\uff0c\u4ee55 mol% CPA(S)-C4\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5\u4e8c\u6c2f\u7532\u70f7\u4f5c\u4e3a\u6eb6\u5242\uff0c\u5728\u5ba4\u6e29\u4e0b\u8fdb\u884c\u53cd\u5e94\uff0c\u53ef\u83b7\u5f9748%\u6536\u7387\u4ee5\u53ca98% ee\u7684\u4ea7\u72695a\uff08\u88682, entry 1\uff09\u3002\u901a\u8fc7\u5bf9\u6eb6\u5242\u3001\u50ac\u5316\u5242\u3001\u5e95\u7269\u7684\u6bd4\u4f8b\u7b49\u6761\u4ef6\u7b5b\u9009\uff0c\u6700\u7ec8\u4f5c\u8005\u4ee55 mol%\u7684(S)-C4\u4f5c\u4e3a\u50ac\u5316\u5242\uff0c\u4ee5\u4e59\u9178\u4e59\u916f\u4f5c\u4e3a\u6eb6\u5242\uff0c\u4ee5\u4e24\u500d\u5f53\u91cf\u76841a\u4e0b\u8fdb\u884c\u5ba4\u6e29\u53cd\u5e94\u4e3a\u6700\u4f18\u6761\u4ef6\uff0c\u8fdb\u884c\u5e95\u7269\u62d3\u5c55\u7814\u7a76\uff08\u88682, entry 14\uff09\u3002 \u88682\u82ef\u80fa-\u5432\u54da\u9aa8\u67b6\u8f74\u624b\u6027\u5316\u5408\u7269\u6761\u4ef6\u7b5b\u9009 \u5728\u6700\u4f18\u53cd\u5e94\u6761\u4ef6\u4e0b\uff0c\u4f5c\u8005\u9996\u5148\u5bf92-\u4e9a\u785d\u57fa\u8418\u8fdb\u884c\u4e86\u5e95\u7269\u62d3\u5c55\u7814\u7a76\u3002\u5404\u79cd7-\u4f4d\u62168-\u4f4d\u4e0d\u540c\u57fa\u56e2\u53d6\u4ee3\u76842-\u4e9a\u785d\u57fa\u8418\u5747\u80fd\u8f83\u597d\u5730\u9002\u5e94\u4e0a\u8ff0\u6700\u4f73\u7684\u53cd\u5e94\u6761\u4ef6\uff0c\u4ece\u800c\u4ee5\u4e2d\u7b49\u81f3\u826f\u597d\u7684\u6536\u7387\u548c\u4f18\u79c0\u7684\u5bf9\u6620\u9009\u62e9\u6027\uff08\u5747\uff1e97% ee\uff09\u5f97\u5230\u76f8\u5e94\u4ea7\u7269\uff08\u56fe3 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Verma, G. Xia, J. Shi, J. X. Qiao, S. Tao, P. T. 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