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(a) Boekelheide\u7b49\u4eba\u53d1\u5c55\u7684APD\u5408\u6210\u8def\u7ebf\uff1b(b)\u00a0\u672c\u6587\u4f5c\u8005\u53d1\u5c55\u7684\u4e24\u6b65\u514b\u7ea7\u5408\u6210\u8def\u7ebf<\/p>\n<p>\u8fd1\u65e5\uff0c<strong><b>\u5357\u5f00\u5927\u5b66\u738b\u5c0f\u91ce\u8bfe\u9898\u7ec4<\/b><\/strong>\u53d1\u5c55\u4e86\u4e00\u79cd\u9ad8\u6548\u5408\u6210APD\u7684\u65b9\u6cd5\uff0c\u901a\u8fc7\u7b80\u6377\u7684\u4e24\u6b65\u53cd\u5e94\u5b9e\u73b0\u4e86APD\u7684\u514b\u7ea7\u5236\u5907\uff0c\u4e3a\u540e\u7eed\u5bf9APD\u7684\u5316\u5b66\u4e0e\u7269\u7406\u6027\u8d28\u7814\u7a76\u5960\u5b9a\u4e86\u57fa\u7840\u3002\u4f5c\u8005\u4ece\u5546\u4e1a\u53ef\u5f97\u76845,6-\u4e8c\u6eb4\u82ca\u51fa\u53d1\uff0c\u9996\u5148\u901a\u8fc7Suzuki\u5076\u8054\u53cd\u5e94\u6784\u5efa\u4e03\u5143\u73af\uff0c\u968f\u540e\u901a\u8fc7\u63a2\u7d22\u6700\u4f73\u8131\u6c22\u82b3\u6784\u5316\u53cd\u5e94\u6761\u4ef6\uff0c\u6700\u7ec8\u6210\u529f\u4ee544%\u7684\u603b\u4ea7\u7387\u5408\u6210\u4e86APD\u5206\u5b50\uff08\u56fe2b\uff09\u3002\u5728\u6b64\u57fa\u7840\u4e0a\uff0c\u4f5c\u8005\u9996\u6b21\u8bc1\u660e\u4e86APD\u7684\u884d\u751f\u5316\uff0c\u4ee5\u6eb4\u4ee3APD\u4e3a\u5173\u952e\u524d\u9a71\u4f53\uff0c\u5b9e\u73b0\u4e86APD\u9aa8\u67b6\u7684\u03c0\u4f53\u7cfb\u62d3\u5c55\u5e76\u6784\u7b51\u4e86\u57fa\u4e8eAPD\u7684\u7eb3\u7c73\u77f3\u58a8\u70ef\uff0c\u4e3a\u53d1\u5c55\u4f4e\u80fd\u9699\u7eb3\u7c73\u77f3\u58a8\u70ef\u6750\u6599\u63d0\u4f9b\u4e86\u65b0\u601d\u8def\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-220275 size-full\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe\u72474.png\" alt=\"\" width=\"600\" height=\"444\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe\u72474.png 600w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe\u72474-300x222.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe3. APD\uff08a,b,c\uff09\u4e0e\u8298\uff08d,e,f\uff09\u7684\u9759\u7535\u52bf\u3001\u611f\u5e94\u7535\u6d41\u5bc6\u5ea6\u5404\u5411\u5f02\u6027\u53ca\u5316\u5b66\u5c4f\u853d\u6548\u5e94\u8ba1\u7b97<\/p>\n<p>\u4f5c\u8005\u901a\u8fc7\u7406\u8bba\u8ba1\u7b97\uff0c\u6bd4\u8f83\u4e86APD\u4e0e\u5176\u5f02\u6784\u4f53\u8298\u7535\u5b50\u7ed3\u6784\u7684\u5f02\u540c\uff1a\u9759\u7535\u52bf\uff08ESP\uff09\u8ba1\u7b97\u8868\u660eAPD\u5206\u5b50\u4e2d\u8d1f\u7535\u8377\u4e3b\u8981\u5206\u5e03\u5728\u4e94\u5143\u73af\u4e0a\uff0c\u800c\u4e03\u5143\u73af\u7565\u663e\u6b63\u7535\u6027\uff0c\u4e0e\u5176\u5076\u6781\u5171\u632f\u5f0f\u4e00\u81f4\uff08\u56fe3a\uff09\uff1b\u611f\u5e94\u7535\u6d41\u5bc6\u5ea6\u5404\u5411\u5f02\u6027\uff08ACID\uff09\u8ba1\u7b97\u8868\u660eAPD\u6574\u4f53\u5448\u73b0\u4e0e\u8298\u7c7b\u4f3c\u7684\u5168\u5c40\u82b3\u9999\u6027\uff08\u56fe3b,\u00a03e\uff09\uff1b\u5316\u5b66\u5c4f\u853d\u8ba1\u7b97\uff082D-ICSS\uff09\u663e\u793aAPD\u4e94\u5143\u73af\u4e0a\u5448\u73b0\u66f4\u5f3a\u7684\u5c4f\u853d\u6548\u5e94\uff0c\u4e0e\u8298\u8868\u73b0\u51fa\u8f83\u5927\u7684\u4e0d\u540c\uff08\u56fe3c, 3f\uff09\u3002<\/p>\n<p>\u5149\u7269\u7406\u6027\u8d28\u7814\u7a76\u8868\u660e\uff0cAPD\u7684\u5149\u5b66\u80fd\u9699\u4e3a2.19 eV\uff0c\u8fdc\u5c0f\u4e8e\u8298\u7684\u5149\u5b66\u80fd\u9699\uff083.59 eV\uff09\u3002APD\u7684\u6700\u5927\u53d1\u5c04\u6ce2\u957f\u4e3a560 nm\uff0c\u4e0e\u8298\u76f8\u6bd4\uff08374 nm\uff09\u53d1\u751f\u4e86\u660e\u663e\u7684\u7ea2\u79fb\u3002\u7535\u5316\u5b66\u6d4b\u8bd5\u663e\u793a\uff0c\u4e0e\u8298\u7684\u524d\u7ebf\u8f68\u9053\u80fd\u7ea7\uff08LUMO: \u22122.31 eV\uff1bHOMO: \u22125.63 eV\uff09\u76f8\u6bd4\uff0cAPD\u5177\u6709\u66f4\u4f4e\u7684LUMO\u80fd\u7ea7\uff08\u22122.80 eV\uff09\u548c\u66f4\u9ad8\u7684HOMO\u80fd\u7ea7\uff08\u22125.38 eV\uff09\u3002\u7d2b\u5916\u5149\u7535\u5b50\u80fd\u8c31\uff08UPS\uff09\u8868\u660e\u8584\u819c\u72b6\u6001\u4e0bAPD\u4e5f\u8868\u73b0\u51fa\u66f4\u9ad8HOMO\u80fd\u7ea7\u3002\u8fd9\u4e9b\u7279\u5f81\u8868\u660eAPD\u6709\u671b\u4f5c\u4e3a\u72ec\u7279\u7684\u7ed3\u6784\u57fa\u5143\u7528\u4e8e\u6784\u5efa\u4f4e\u80fd\u9699\u7684\u03c0\u5171\u8f6d\u4f53\u7cfb\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-220282 size-full\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe4.png\" alt=\"\" width=\"600\" height=\"320\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe4.png 600w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe4-300x160.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe4. APD\u7684\u03c0\u4f53\u7cfb\u62d3\u5c55\u5408\u6210\u65b0\u578b\u5171\u8f6d\u5206\u5b50\u53ca\u975e\u82ef\u578b\u7eb3\u7c73\u77f3\u58a8\u70ef<\/p>\n<p>\u4e3a\u6b64\uff0c\u4f5c\u8005\u521d\u6b65\u63a2\u7d22\u4e86APD\u7684\u884d\u751f\u5316\uff0c\u8bc1\u660e\u4e86\u5176\u6eb4\u5316\u7684\u4f4d\u70b9\u53d1\u751f\u5728\u66f4\u5bcc\u7535\u5b50\u7684C7\u548cC8\u4f4d\uff08\u56fe4\uff09\u3002\u968f\u540e\uff0c\u4ee5\u4e8c\u6eb4APD\uff08<strong><b>9<\/b><\/strong>\uff09\u4f5c\u4e3a\u5173\u952e\u524d\u9a71\u4f53\uff0c\u901a\u8fc7Suzuki\u5076\u8054\u548cScholl\u53cd\u5e94\u5173\u73af\u5b9e\u73b0\u4e86\u03c0\u4f53\u7cfb\u7684\u62d3\u5c55\uff0c\u5f97\u5230\u5316\u5408\u7269<strong><b>11<\/b><\/strong>\u3002\u4e0eAPD\u76f8\u6bd4\uff0c\u5316\u5408\u7269<strong><b>11<\/b><\/strong>\u7684\u6700\u5927\u5438\u6536\u4e0e\u53d1\u5c04\u6ce2\u957f\u5747\u53d1\u751f\u4e86\u7ea2\u79fb\uff0c\u7535\u5316\u5b66\u6d4b\u8bd5\u548cDFT\u8ba1\u7b97\u4e5f\u8868\u660e\u5176\u5177\u6709\u66f4\u9ad8\u7684HOMO\u80fd\u7ea7\u548c\u66f4\u4f4e\u7684LUMO\u80fd\u7ea7\uff0c\u8bc1\u660e\u4e86\u03c0\u62d3\u5c55\u7b56\u7565\u80fd\u591f\u6709\u6548\u964d\u4f4e\u80fd\u9699\u3002<\/p>\n<p>\u8fdb\u4e00\u6b65\u5730\uff0c\u4f5c\u8005\u5229\u7528Yamamoto\u4e09\u805a\u53cd\u5e94\u4ee569%\u7684\u4ea7\u7387\u5f97\u5230\u4e86\u661f\u578b\u7eb3\u7c73\u77f3\u58a8\u70ef<strong><b>12<\/b><\/strong>\uff08\u56fe4\uff09\u3002\u5c3d\u7ba1\u7531\u4e8e\u5176\u6eb6\u89e3\u5ea6\u8f83\u5dee\u5bfc\u81f4\u8868\u5f81\u56f0\u96be\uff0c\u5176\u5316\u5b66\u7ed3\u6784\u4ecd\u7136\u80fd\u591f\u901a\u8fc7\u6838\u78c1\u6c22\u8c31\u548c\u9ad8\u5206\u8fa8\u8d28\u8c31\u5f97\u4ee5\u8bc1\u5b9e\uff08\u56fe5\uff09\u3002\u5316\u5408\u7269<strong><b>12<\/b><\/strong>\u7684\u5149\u5b66\u80fd\u9699\u4e3a1.98 eV\uff0c\u6bd4APD\u7684\u5149\u5b66\u80fd\u9699\uff082.19 eV\uff09\u66f4\u4f4e\uff0c\u5176\u6700\u5927\u53d1\u5c04\u6ce2\u957f\uff08702 nm\uff09\u8f83APD\uff08560 nm\uff09\u800c\u8a00\u4e5f\u53d1\u751f\u4e86\u663e\u8457\u7ea2\u79fb\u3002\u76f8\u6bd4\u4e8e\u5df2\u62a5\u9053\u7684\u5177\u6709\u76f8\u540c\u5e76\u73af\u6570\u76ee\u7684\u7eb3\u7c73\u77f3\u58a8\u70ef<strong><b>13<\/b><\/strong>\uff08C<sub>54<\/sub>H<sub>30<\/sub>\uff09\uff0c\u975e\u82ef\u578b\u7eb3\u7c73\u77f3\u58a8\u70ef<strong><b>12<\/b><\/strong>\u5177\u6709\u66f4\u7a84\u7684HOMO-LUMO\u80fd\u9699\uff08\u56fe5d\uff09\uff0c\u8868\u73b0\u51fa\u72ec\u7279\u7684\u5149\u7535\u6027\u8d28\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter wp-image-220277 size-full\" src=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe\u72476.png\" alt=\"\" width=\"600\" height=\"448\" srcset=\"http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe\u72476.png 600w, http:\/\/www.cailiaoniu.com\/wp-content\/uploads\/2021\/04\/\u56fe\u72476-300x224.png 300w\" sizes=\"(max-width: 600px) 100vw, 600px\" \/><\/p>\n<p style=\"text-align: center;\">\u56fe5. \u7eb3\u7c73\u77f3\u58a8\u70ef<strong><b>1<\/b><\/strong><strong><b>2<\/b><\/strong>\u7684\u6838\u78c1\uff08a\uff09\u3001\u9ad8\u5206\u8fa8\u8d28\u8c31\uff08b\uff09\u3001\u5438\u6536\u5149\u8c31\uff08c\uff09\u53ca\u5176\u4e0e\u7eb3\u7c73\u77f3\u58a8\u70ef<strong><b>1<\/b><\/strong><strong><b>3<\/b><\/strong>\u7684\u80fd\u7ea7\u5bf9\u6bd4\uff08d\uff09<\/p>\n<p><strong><b>\u3010\u603b\u7ed3\u5c55\u671b\u3011<\/b><\/strong><\/p>\n<p>\u672c\u6587\u5f00\u53d1\u4e86\u4e00\u79cd\u9ad8\u6548\u5408\u6210\u975e\u82ef\u82b3\u70c3APD\u7684\u65b9\u6cd5\uff0c\u4ee5\u4e24\u6b65\u53cd\u5e9444%\u7684\u603b\u4ea7\u7387\u5b9e\u73b0\u4e86APD\u7684\u514b\u7ea7\u5236\u5907\u3002\u4f5c\u8005\u9996\u6b21\u5b9e\u73b0\u4e86APD\u7684\u5b98\u80fd\u5316\u53ca\u03c0-\u62d3\u5c55\uff0c\u5e76\u6210\u529f\u5408\u6210\u4e86\u4f4e\u80fd\u9699\u7684\u975e\u82ef\u578b\u7eb3\u7c73\u77f3\u58a8\u70ef\u5206\u5b50\uff08C<sub>48<\/sub>H<sub>24<\/sub>\uff09\u3002\u8fd9\u4e00\u5de5\u4f5c\u6709\u671b\u4f7fAPD\u5316\u5b66\u91cd\u83b7\u65b0\u751f\uff0c\u5728\u65b0\u578b\u591a\u73af\u82b3\u70c3\u3001\u03c0\u5171\u8f6d\u805a\u5408\u7269\u53ca\u77f3\u58a8\u70ef\u7eb3\u7c73\u5e26\u7b49\u6750\u6599\u7684\u8bbe\u8ba1\u5408\u6210\u4e2d\u53d1\u6325\u91cd\u8981\u4f5c\u7528\uff0c\u4e3a\u5176\u5728\u5149\u7535\u53ca\u80fd\u6e90\u7b49\u9886\u57df\u7684\u5e94\u7528\u5f00\u521b\u65b0\u7684\u673a\u9047\u3002\u8fd9\u4e00\u6210\u679c\u8fd1\u671f\u53d1\u8868\u5728<strong><em><b><i>J. Am. Chem. Soc.<\/i><\/b><\/em><\/strong>\u4e0a\uff0c\u6587\u7ae0\u7684\u7b2c\u4e00\u4f5c\u8005\u662f\u5357\u5f00\u5927\u5b66\u535a\u58eb\u540e<strong><b>\u5218\u9e4f\u624d<\/b><\/strong>\uff0c\u901a\u8baf\u4f5c\u8005\u662f\u5357\u5f00\u5927\u5b66<strong><b>\u738b\u5c0f\u91ce<\/b><\/strong>\u7814\u7a76\u5458\u3002<\/p>\n<p><strong><b>\u3010\u539f\u6587\u94fe\u63a5\u3011<\/b><\/strong><\/p>\n<p>Revisiting Acepleiadylene: Two-Step Synthesis and \u03c0-Extension toward Nonbenzenoid Nanographene, <em><i>J. Am. Chem. Soc.<\/i><\/em>\u00a0<strong><b>2021<\/b><\/strong>, DOI: 10.1021\/jacs.1c01826.<\/p>\n<p><a href=\"https:\/\/pubs.acs.org\/doi\/full\/10.1021\/jacs.1c01826\"><u>https:\/\/pubs.acs.org\/doi\/full\/10.1021\/jacs.1c01826<\/u><\/a><\/p>\n<p><strong><b>\u3010\u4f5c\u8005\u7b80\u4ecb\u3011<\/b><\/strong><\/p>\n<p>\u738b\u5c0f\u91ce\uff0c\u5357\u5f00\u5927\u5b66\u5316\u5b66\u5b66\u9662\u7279\u8058\u7814\u7a76\u5458\u3001\u535a\u58eb\u751f\u5bfc\u5e08\u3001\u72ec\u7acb\u8bfe\u9898\u7ec4\u7ec4\u957f\uff08PI\uff09\uff0c\u66fe\u83b7\u5fb7\u56fd\u6d2a\u5821\u57fa\u91d1\uff0c\u5165\u9009\u56fd\u5bb6\u7ea7\u201c\u56db\u9752\u201d\u4eba\u624d\u9879\u76ee\u30022009\u5e74\u672c\u79d1\u6bd5\u4e1a\u4e8e\u5357\u5f00\u5927\u5b66\uff1b2014\u5e74\u535a\u58eb\u6bd5\u4e1a\u4e8e\u5317\u4eac\u5927\u5b66\uff0c\u5bfc\u5e08\u4e3a\u88f4\u575a\u6559\u6388\uff1b2014\u81f32019\u5e74\u5728\u5fb7\u56fd\u9a6c\u666e\u9ad8\u5206\u5b50\u6240\u4ece\u4e8b\u535a\u58eb\u540e\u7814\u7a76\uff0c\u5bfc\u5e08\u4e3a\u5fb7\u56fd\u53ca\u6b27\u6d32\u79d1\u5b66\u9662\u9662\u58ebKlaus M\u00fcllen\u6559\u6388\u30022019\u5e74\u52a0\u5165\u5357\u5f00\u5927\u5b66\u5316\u5b66\u5b66\u9662\u5143\u7d20\u6709\u673a\u5316\u5b66\u56fd\u5bb6\u91cd\u70b9\u5b9e\u9a8c\u5ba4\u5f00\u5c55\u72ec\u7acb\u7814\u7a76\u5de5\u4f5c\u3002\u957f\u671f\u4ece\u4e8b\u6709\u673a\u5171\u8f6d\u5206\u5b50\u6750\u6599\u7684\u8bbe\u8ba1\u5408\u6210\u53ca\u529f\u80fd\u5668\u4ef6\u7814\u7a76\uff0c\u5df2\u5728\u56fd\u9645\u9ad8\u6c34\u5e73\u5b66\u672f\u671f\u520a\u4e0a\u53d1\u8868\u8bba\u658750\u4f59\u7bc7\uff0c\u88ab\u5f15\u75283000\u4f59\u6b21\u3002\u5176\u4e2d\u4ee5\u7b2c\u4e00\/\u901a\u8baf\u4f5c\u8005\u53d1\u8868\u8bba\u658720\u4f59\u7bc7\uff0c\u5305\u62ec<em><i>Nat. Rev. Chem<\/i><\/em>.\uff081\u7bc7\uff09\u3001<em><i>Acc. Chem. Res.<\/i><\/em>\uff081\u7bc7\uff09\u3001<em><i>Nat. Commun.<\/i><\/em>\uff083\u7bc7\uff09\u3001<em><i>J. Am. Chem. Soc.<\/i><\/em>\uff087\u7bc7\uff09\u3001<em><i>Angew. Chem. Int. Ed.<\/i><\/em>\uff082\u7bc7\uff09\u7b49\u3002<\/p>\n<p>\u672c\u6587\u7531\u4f5c\u8005\u6295\u7a3f\u3002<\/p>\n","protected":false},"excerpt":{"rendered":"<p>\u3010\u7814\u7a76\u80cc\u666f\u3011 \u591a\u73af\u82b3\u70c3\u662f\u6709\u673a\u534a\u5bfc\u4f53\u6750\u6599\u7684\u7ed3\u6784\u57fa\u7840\uff0c\u5728\u5149\u7535\u3001\u4fe1\u606f\u3001\u80fd\u6e90\u3001\u751f\u7269\u7b49\u9886\u57df\u5177\u6709\u5e7f\u6cdb\u7684\u5e94\u7528\uff1b\u5f53\u5176\u5c3a\u5bf8\u8fbe\u5230\u7eb3\u7c73\u5c3a\u5ea6\uff081 ~ 100 nm\uff09\u65f6\uff0c\u53ef\u88ab\u8ba4\u4e3a\u662f\u7ed3\u6784\u7cbe&#8230;<\/p>\n","protected":false},"author":11454,"featured_media":0,"comment_status":"open","ping_status":"closed","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[215],"tags":[],"class_list":["post-220272","post","type-post","status-publish","format-standard","hentry","category-jiedu"],"_links":{"self":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/220272"}],"collection":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/users\/11454"}],"replies":[{"embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcomments&post=220272"}],"version-history":[{"count":2,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/220272\/revisions"}],"predecessor-version":[{"id":220283,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=\/wp\/v2\/posts\/220272\/revisions\/220283"}],"wp:attachment":[{"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fmedia&parent=220272"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Fcategories&post=220272"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/www.cailiaoniu.com\/index.php?rest_route=%2Fwp%2Fv2%2Ftags&post=220272"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}