{"id":981,"date":"2023-10-20T12:00:19","date_gmt":"2023-10-20T04:00:19","guid":{"rendered":"https:\/\/www.homechemer.com\/?p=981"},"modified":"2023-11-10T17:09:43","modified_gmt":"2023-11-10T09:09:43","slug":"news-3","status":"publish","type":"post","link":"https:\/\/www.homechemer.com\/news\/3","title":{"rendered":"\u795d\u8d3a\u5f20\u73c2\u548c\u9648\u6a28\u7684\u6587\u7ae0\u5728Org. Biomol. Chem.\u6742\u5fd7\u53d1\u8868\uff01"},"content":{"rendered":"\n

\u795d\u8d3a\u5f20\u73c2\u548c\u9648\u6a28\u7684\u6587\u7ae0\u5728Org. Biomol. Chem.\u6742\u5fd7\u53d1\u8868\uff01
Congratulations to Ke Zhang and Xi Chen for Publication in Org. Biomol. Chem. Journal!<\/strong><\/p>\n\n\n\n

Ke Zhang and Xi Chen
Released: 2023-10-20 \/ Updated: 2023-10-20<\/p>\n\n\n

\n
\"\"<\/figure>\n<\/div>\n\n\n

\u6709\u673a\u6c1f\u5316\u5b66\u7684\u7814\u7a76\u5173\u6ce8\u4e24\u4e2a\u4e3b\u8981\u95ee\u9898\uff1aC-F\u952e\u7684\u6784\u7b51\u4ee5\u53caC-F\u952e\u7684\u6d3b\u5316\u3002\u4ece\u7eff\u8272\u5316\u5b66\u7684\u89d2\u5ea6\u6765\u770b\uff0c\u5206\u5b50\u5185\u7684\u6c1f\u8fc1\u79fb\u53cd\u5e94\u53ef\u5c06\u4e8c\u8005\u7ed3\u5408\uff0c\u5b9e\u73b0\u539f\u5b50\u5229\u7528\u7387\u7684\u6700\u5927\u5316\u3002\u4e00\u4e9b\u65e9\u671f\u7684\u65b9\u6cd5\u9700\u8981\u4e25\u82db\u7684\u6761\u4ef6\u6216\u7279\u5b9a\u7684\u5e95\u7269\uff0c\u4ec5\u6709\u6781\u5c11\u6570\u65b9\u6cd5\u80fd\u591f\u5229\u7528C-F\u6d3b\u5316\u4ea7\u7269\u4e4b\u4e00\u7684\u6c1f\u79bb\u5b50\u6784\u7b51C-F\u952e\uff0c\u800c\u5206\u5b50\u5185\u7684\u6c1f\u8fc1\u79fb\u5219\u9c9c\u6709\u62a5\u5bfc\u3002\u4e2d\u79d1\u9662\u4e0a\u6d77\u6709\u673a\u6240\u80e1\u91d1\u6ce2\u8bfe\u9898\u7ec4\u9996\u6b21\u62a5\u5bfc\u4e86\u901a\u8fc7\u8026\u5408\u73af\u6c27\u5f00\u73af\u53cd\u5e94\u9996\u6b21\u5b9e\u73b0\u4e86\u5206\u5b50\u5185[1,2]-\u6c1f\u8fc1\u79fb\u30021<\/a><\/sup> \u540e\u7eed\u53c8\u8bbe\u8ba1\u5e95\u7269\uff0c\u901a\u8fc7\u63a7\u5236\u53cd\u5e94\u4f53\u7cfb\u7684\u9178\u5ea6\u548c\u6eb6\u5242\u6781\u6027\uff0c\u5728\u540c\u4e00\u53cd\u5e94\u4f53\u7cfb\u5185\u5b9e\u73b0\u4e86[1,2]-\u548c[1,5]-\u6c1f\u8fc1\u79fb\u4e24\u79cd\u8fc1\u79fb\u4e4b\u95f4\u7684\u9009\u62e9\u6027\u30022<\/a><\/sup> \u9664\u6b64\u4e4b\u5916\uff0c\u6709\u5173\u6c1f\u8fc1\u79fb\u53cd\u5e94\u7684\u7814\u7a76\u6781\u5c11\uff0c\u4ee5\u4e0a\u53cd\u5e94\u7684\u673a\u7406\u4e5f\u5c1a\u4e0d\u660e\u6670\u3002\u672c\u5de5\u4f5c\u4e2d\u6211\u4eec\u7814\u7a76\u4e86\u5df2\u62a5\u5bfc\u7684[1,2]-\u6c1f\u8fc1\u79fb\u7684\u53cd\u5e94\u673a\u7406\uff0c\u5e76\u57fa\u4e8e\u6b64\u6784\u5efa\u4e86\u5177\u6709\u666e\u9002\u6027\u7684[1,2]-\u6c1f\u8fc1\u79fb\u53cd\u5e94\u6a21\u677f\uff0c\u76f8\u5173\u5de5\u4f5c\u4ee5Advanced Article\u5f62\u5f0f\u53d1\u8868\u4e8eRSC\u65d7\u4e0bOrganic & Biomolecular Chemistry\u6742\u5fd7\u7684\u201cComputational Organic Chemistry\u201d\u4e13\u9898\u5408\u8f91\u30023<\/a><\/sup><\/p>\n\n\n

\n
\"\"
a).<\/strong> and b).<\/strong> Reported epoxides induced [1,2]- and [1,5]-fluorine migration by Hu. et.al.<\/em> c).<\/strong> \u03b1<\/em> Electron-defficiency induced [1,2]-fluorine migration designed in this work.<\/figcaption><\/figure>\n<\/div>\n\n\n

\u9996\u5148\uff0c\u6211\u4eec\u63d0\u51fa\u4e86\u7f3a\u7535\u5b50\u03b1<\/em>\u4f4d\u8bf1\u5bfc\u7684[1,2]-\u6c1f\u8fc1\u79fb\u7684\u53cd\u5e94\u6a21\u677f\uff0c\u5e76\u8fdb\u884c\u4e86\u53cd\u5e94\u673a\u7406\u7814\u7a76\u3002\u4ee5\u03b1<\/em>,\u03b2<\/em>-\u4e0d\u9971\u548c\u9170\u6c1f\u4e3a\u5e95\u7269\uff0c\u4eb2\u6838\u8bd5\u5242\u8fdb\u653b\u7fb0\u57fa\u78b3\u539f\u5b50\uff0c\u4e0e\u7ecf\u5178\u7684\u201c\u52a0\u6210-\u6d88\u9664\u201d\u673a\u7406\u7684\u52a0\u6210\u4e00\u6b65\u4e00\u81f4\uff0c\u5f97\u5230\u56db\u9762\u4f53\u4e2d\u95f4\u4f53\uff0c\u4f46\u540e\u7eed\u53cd\u5e94\u53d1\u751f\u4e86[1,2]-\u6c1f\u8fc1\u79fb\u3002\u5bf9\u8fc7\u6e21\u6001\u7ed3\u6784\u7684\u7535\u5b50\u5bc6\u5ea6\u5dee\u8fdb\u884c\u5206\u6790\uff0c\u5e76\u6cbfIRC\u8003\u5bdfMayer\u952e\u7ea7\u548cNPA\u7535\u8377\uff0c\u53ef\u4ee5\u770b\u51fa\u5728\u8fc7\u6e21\u6001\u5904\u5df2\u65e0\u660e\u663e\u7684C-F\u952e\u7279\u5f81\uff0c\u6c1f\u539f\u5b50\u4ee5\u9634\u79bb\u5b50\u5f62\u5f0f\u901a\u8fc7\u9759\u7535\u76f8\u4e92\u4f5c\u7528\u4e0e\u53cd\u5e94\u4f4d\u70b9\u7ed3\u5408\uff0c\u8868\u73b0\u51fa\u7d27\u5bc6\u79bb\u5b50\u5bf9\u673a\u7406(tight ion pair mechanism)\u7684\u7279\u5f81\u3002\u52bf\u80fd\u9762\u7684\u626b\u63cf\u8868\u660e\uff0c\u5f3a\u70c8\u7684\u9759\u7535\u4f5c\u7528\u4f7f\u5f97IRC\u9644\u8fd1\u4e0d\u5b58\u5728\u6c1f\u79bb\u5b50\u7684\u79bb\u53bb\u901a\u9053\uff0c\u4e24\u4e2a\u53cd\u5e94\u5750\u6807\u540c\u6b65\u53d8\u5316\u5f97\u5230\u4ea7\u7269\u3002<\/p>\n\n\n

\n
\"\"
Wavefunction analysis for transition state and IRC of standard model of \u03b1<\/em> electron-deffiency induced [1,2]-fluorine migration.<\/figcaption><\/figure>\n<\/div>\n\n
\n
\"\"
Potential energy surface of standard model of \u03b1<\/em> electron-deffiency induced [1,2]-fluorine migration.<\/figcaption><\/figure>\n<\/div>\n\n\n

\u9488\u5bf9\u80e1\u91d1\u6ce2\u7b49\u7684\u5de5\u4f5c\uff0c\u6211\u4eec\u5bf9\u73af\u6c27\u5f00\u73af\u8bf1\u5bfc[1,2]-\u6c1f\u8fc1\u79fb\u53cd\u5e94\u7684\u673a\u7406\u8fdb\u884c\u4e86\u7814\u7a76\u3002\u7ed3\u679c\u8868\u660e\u6c1f\u8fc1\u79fb\u53cd\u5e94\u4ecd\u7136\u91c7\u53d6\u7d27\u5bc6\u79bb\u5b50\u5bf9\u673a\u7406\uff0c\u5bf9\u5e94\u4e8e\u4e24\u6839C-F\u952e\u7684\u53cd\u5e94\u5750\u6807\u540c\u6b65\u53d8\u5316\u3002\u4f46\u5b8c\u6574\u53cd\u5e94\u7684\u52bf\u80fd\u9762\u626b\u63cf\u7ed3\u679c\u8868\u660e\u5176\u53cd\u5e94\u5386\u7a0b\u53ef\u4ee5\u5206\u4e3a\u4e24\u4e2a\u9636\u6bb5\uff1a\u73af\u6c27\u5f00\u73af\u63d0\u9ad8\u03b1<\/em>\u4f4d\u7684\u4eb2\u7535\u6027\uff0c\u968f\u4e4b\u5219\u662f\u7f3a\u7535\u5b50\u03b1<\/em>\u4f4d\u8bf1\u5bfc\u7684[1,2]-\u6c1f\u8fc1\u79fb\u53cd\u5e94\u3002\u5728\u8fc7\u6e21\u6001\u5904\u73af\u6c27\u5f00\u73af\u5df2\u7ecf\u51e0\u8fd1\u5b8c\u6210\uff0c\u800c\u6c1f\u79bb\u5b50\u4ecd\u5904\u4e8e\u7d27\u5bc6\u79bb\u5b50\u5bf9\u7684\u72b6\u6001\uff0c\u56e0\u6b64\u6574\u4e2a\u53cd\u5e94\u6240\u6d89\u53ca\u7684\u4e09\u4e2a\u5173\u952e\u53cd\u5e94\u5750\u6807\uff08\u5bf9\u5e94\u4e8e\u4e24\u4e2aC-F\u952e\u957f\u548c\u4e00\u4e2aC-O\u952e\u957f\uff09\u5e76\u4e0d\u662f\u540c\u6b65\u53d8\u5316\u7684\uff0c\u6545\u800c\u786e\u8ba4\u4e3a\u5f02\u6b65\u534f\u540c(asychronous concerted)\u7684\u7d27\u5bc6\u79bb\u5b50\u5bf9\u673a\u7406\u3002<\/p>\n\n\n

\n
\"\"
Wavefunction analysis for transition state and IRC of standard model of epoxides induced [1,2]-fluorine migration.<\/figcaption><\/figure>\n<\/div>\n\n
\n
\"\"
Potential energy surface of standard model of epoxides induced [1,2]-fluorine migration.<\/figcaption><\/figure>\n<\/div>\n\n\n

\u57fa\u4e8e\u4ee5\u4e0a\u7814\u7a76\uff0c\u6211\u4eec\u8bbe\u8ba1\u4e86\u4e00\u7cfb\u5217\u4ee5\u03b1<\/em>, \u03b2<\/em>-\u4e0d\u9971\u548c\u9170\u6c1f\u4e3a\u5e95\u7269\u3001\u7f3a\u7535\u5b50\u03b1<\/em>\u4f4d\u8bf1\u5bfc\u7684[1,2]-\u6c1f\u8fc1\u79fb\u53cd\u5e94\uff0cDFT\u8ba1\u7b97\u8868\u660e\u53cd\u5e94Gibbs\u81ea\u7531\u80fd\u53d8\u4e0e\u8fdc\u7aef\u5438\u7535\u5b50\u57fa\u56e2\u7684Fukui\u4eb2\u7535\u51fd\u6570\u9ad8\u5ea6\u7ebf\u6027\u76f8\u5173\uff0c\u8bc1\u5b9e\u4e86\u7f3a\u7535\u5b50\u03b1<\/em>\u4f4d\u8bf1\u5bfc\u7684\u672c\u8d28\uff0c\u4e14\u8be5\u6548\u5e94\u53ef\u901a\u8fc7\u5171\u8f6d\u94fe\u4f20\u9012\u800c\u4e0d\u53d7\u5f71\u54cd\u3002\u9664\u6b64\u4e4b\u5916\uff0c\u8026\u5408\u5916\u6765\u4eb2\u7535\u8bd5\u5242\u52a0\u6210\u03b1<\/em>, \u03b2<\/em>-\u4e0d\u9971\u548c\u9170\u6c1f\u03b2<\/em>\u4f4d\u6784\u5efa\u7f3a\u7535\u5b50\u03b1<\/em>\u4f4d\u3001\u8bf1\u5bfc[1,2]-\u6c1f\u8fc1\u79fb\u7684\u53cd\u5e94\u6a21\u677f\uff0c\u548c\u8026\u5408\u9971\u548c\u9170\u6c1f\u03b2<\/em>\u4f4dSN<\/sub>2\u53cd\u5e94\u7684\u6a21\u677f\u4e5f\u8fdb\u884c\u4e86\u76f8\u5173\u7814\u7a76\u3002\u5728\u8fd9\u4e9b\u884d\u751f\u53cd\u5e94\u4e2d\uff0c[1,2]-\u6c1f\u8fc1\u79fb\u53cd\u5e94\u5355\u5143\u90fd\u4fdd\u6301\u4e86\u5176\u57fa\u672c\u7279\u6027\u3002<\/p>\n\n\n

\n
\"\"
TOC Entry.<\/strong> Standard model of \u03b1<\/em> electron-deffiency induced [1,2]-fluorine migration and its variants.<\/mark><\/figcaption><\/figure>\n<\/div>\n\n\n

\u672c\u6587\u7531\u5f20\u73c2\u548c\u9648\u6a28\u5171\u540c\u5b8c\u6210\uff0c\u5434\u52c7\u6559\u6388\u548c\u5f90\u5609\u4f1f\u4e3a\u672c\u6587\u901a\u8baf\u4f5c\u8005\u3002<\/p>\n\n\n\n

\u53c2\u8003\u6587\u732e<\/strong><\/p>\n\n\n

  1. Advanced Synthesis & Catalysis <\/em>2010<\/strong>, <\/strong>352<\/em> (16), 2799-2804. \u21a9\ufe0e<\/a><\/li>
  2. Organic Letters<\/em> 2014<\/strong>, 16 <\/em>(3), 888-891. \u21a9\ufe0e<\/a><\/li>
  3. Organic & Biomolecular Chemistry<\/em> 2023,<\/strong> 21<\/em> (43), 8675-8689. \u21a9\ufe0e<\/a><\/li><\/ol>","protected":false},"excerpt":{"rendered":"

    \u795d\u8d3a\u5f20\u73c2\u548c\u9648\u6a28\u7684\u6587\u7ae0\u5728Org. Biomol. C …<\/p>\n","protected":false},"author":11,"featured_media":0,"comment_status":"closed","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"spay_email":"","footnotes":"[{\"content\":\"Advanced Synthesis & Catalysis <\/em>2010<\/strong>, <\/strong>352<\/em> (16), 2799-2804.\",\"id\":\"321eceb5-77de-4e2c-bf91-5d5d45437137\"},{\"content\":\"Organic Letters<\/em> 2014<\/strong>, 16 <\/em>(3), 888-891.\",\"id\":\"5e880669-b479-43e1-a9f4-d9a2bd24e445\"},{\"content\":\"Organic & Biomolecular Chemistry<\/em> 2023,<\/strong> 21<\/em> (43), 8675-8689.\",\"id\":\"446a00f1-713d-42ea-b35e-3c775e667426\"}]"},"categories":[9,5],"tags":[],"class_list":["post-981","post","type-post","status-publish","format-standard","hentry","category-news","category-computchem"],"jetpack_featured_media_url":"","_links":{"self":[{"href":"https:\/\/www.homechemer.com\/index.php?rest_route=\/wp\/v2\/posts\/981","targetHints":{"allow":["GET"]}}],"collection":[{"href":"https:\/\/www.homechemer.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"https:\/\/www.homechemer.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"https:\/\/www.homechemer.com\/index.php?rest_route=\/wp\/v2\/users\/11"}],"replies":[{"embeddable":true,"href":"https:\/\/www.homechemer.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=981"}],"version-history":[{"count":22,"href":"https:\/\/www.homechemer.com\/index.php?rest_route=\/wp\/v2\/posts\/981\/revisions"}],"predecessor-version":[{"id":1100,"href":"https:\/\/www.homechemer.com\/index.php?rest_route=\/wp\/v2\/posts\/981\/revisions\/1100"}],"wp:attachment":[{"href":"https:\/\/www.homechemer.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=981"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"https:\/\/www.homechemer.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=981"},{"taxonomy":"post_tag","embeddable":true,"href":"https:\/\/www.homechemer.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=981"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}