{"id":257365,"date":"2024-01-23T13:09:29","date_gmt":"2024-01-23T05:09:29","guid":{"rendered":"\/\/m.iemloyee.com\/?p=257365"},"modified":"2024-01-22T14:03:44","modified_gmt":"2024-01-22T06:03:44","slug":"%e5%8d%97%e5%bc%80%e7%8e%8b%e5%b0%8f%e9%87%8e%e8%af%be%e9%a2%98%e7%bb%84angew-chem-%ef%bc%9a%e5%b1%80%e5%9f%9f%e5%8f%8d%e8%8a%b3%e9%a6%99%e6%80%a7%e7%9a%84%e7%a1%bc%e6%b0%ae%e5%b9%b6%e4%b9%9d","status":"publish","type":"post","link":"\/\/m.iemloyee.com\/?p=257365","title":{"rendered":"\u5357\u5f00\u738b\u5c0f\u91ce\u8bfe\u9898\u7ec4Angew. Chem.\uff1a\u5c40\u57df\u53cd\u82b3\u9999\u6027\u7684\u787c\u6c2e\u5e76\u4e5d\u82ef\u7b49\u7535\u5b50\u4f53\u7684\u8bbe\u8ba1\u5408\u6210\u53ca\u53d1\u5149\u8c03\u63a7\u65b0\u7b56\u7565"},"content":{"rendered":"<p><strong><b>\u80cc\u666f\u4ecb\u7ecd<\/b><\/strong><\/p>\n<p>\u5e76\u82ef\uff08Acenes\uff09\u662f\u4e00\u7c7b\u7531\u4e0d\u540c\u6570\u91cf\u82ef\u73af\u7ebf\u6027\u7a20\u5408\u800c\u6210\u7684\u591a\u73af\u82b3\u70c3\uff0c\u56e0\u5176\u4f18\u5f02\u7684\u5149\u7535\u6027\u8d28\u88ab\u5e7f\u6cdb\u5e94\u7528\u4e8e\u6709\u673a\u534a\u5bfc\u4f53\u6750\u6599\u7b49\u9886\u57df\uff08\u56fe1a\uff09\u3002\u7136\u800c\uff0c\u53d7\u9650\u4e8e\u5408\u6210\u4e0a\u7684\u5de8\u5927\u6311\u6218\uff0c\u5173\u4e8e\u9ad8\u9636\u5e76\u82ef\uff08\u82ef\u73af\u6570\u91cf\u22656\uff09\u7684\u7814\u7a76\u5341\u5206\u6709\u9650\u3002\u5c06\u5e76\u82ef\u9aa8\u67b6\u4e2d\u7684\u78b3\u78b3\u53cc\u952e\u66ff\u6362\u4e3a\u540c\u7b49\u6570\u91cf\u7684\u787c\u6c2e\u5355\u5143\uff0c\u8fdb\u800c\u6784\u7b51\u5e76\u82ef\u7684\u787c\u6c2e\u7b49\u7535\u5b50\u4f53\uff0c\u5f00\u521b\u4e86\u4e00\u7c7b\u65b0\u578b\u787c\u6c2e\u6742\u6709\u673a\u534a\u5bfc\u4f53\u6750\u6599\u3002\u76ee\u524d\u62a5\u9053\u7684\u787c\u6c2e\u6742\u5e76\u82ef\u4e3b\u8981\u5305\u542b1,2-\u787c\u6c2e\u6742\u82ef\u548c1,4-\u787c\u6c2e\u6742\u82ef\u5355\u5143\uff08\u56fe1b\uff09\uff0c\u4e24\u79cd\u787c\u6c2e\u6742\u73af\u5747\u542b\u67096\u4e2a\u03c0\u7535\u5b50\uff0c\u56e0\u6b64\u5e76\u82ef\u7684\u787c\u6c2e\u7b49\u7535\u5b50\u4f53\u4f9d\u7136\u4fdd\u6301\u4e86\u82b3\u9999\u6027\u3002\u8fd1\u5e74\u6765\uff0c\u787c\u6c2e\u6742\u5e76\u82ef\u7684\u5408\u6210\u53ca\u5e94\u7528\u53d6\u5f97\u4e86\u957f\u8db3\u7684\u53d1\u5c55\uff0c\u4f46\u787c\u6c2e\u6742\u9ad8\u9636\u5e76\u82ef\u7684\u5408\u6210\u4f9d\u7136\u5145\u6ee1\u6311\u6218\uff0c\u5e76\u4e14\u53d1\u5149\u6548\u7387\u666e\u904d\u4e0d\u9ad8\uff0c\u53d1\u5149\u6027\u8d28\u8c03\u63a7\u7b56\u7565\u975e\u5e38\u6709\u9650\uff0c\u56e0\u6b64\u4e9f\u9700\u53d1\u5c55\u787c\u6c2e\u7b49\u7535\u5b50\u4f53\u7684\u5206\u5b50\u8bbe\u8ba1\u65b0\u7406\u5ff5\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-257367\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-1-13.png\" alt=\"\" width=\"800\" height=\"668\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-1-13.png 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-1-13-300x251.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-1-13-768x641.png 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/><\/p>\n<p><strong><b>\u56fe1<\/b><\/strong><strong><b>.<\/b><\/strong>\u00a0\uff08a\uff09\u5e76\u82ef\u7684\u7ed3\u6784\u901a\u5f0f\uff1b\uff08b\uff09\u5df2\u62a5\u9053\u7684\u787c\u6c2e\u7b49\u7535\u5b50\u4f53\u7ed3\u6784\u57fa\u5143\uff1b\uff08c\uff09\u672c\u5de5\u4f5c\u62a5\u9053\u7684\u5c40\u57df\u53cd\u82b3\u9999\u6027\u7684\u787c\u6c2e\u6742\u5e76\u4e5d\u82ef<\/p>\n<p><strong><b>\u6210\u679c\u7b80\u4ecb<\/b><\/strong><\/p>\n<p>\u8fd1\u65e5\uff0c<strong><b>\u5357\u5f00\u5927\u5b66\u738b\u5c0f\u91ce\u8bfe\u9898\u7ec4<\/b><\/strong>\u63d0\u51fa\u4e86\u4e00\u79cd\u5177\u6709\u5c40\u57df\u53cd\u82b3\u9999\u6027\u7684\u787c\u6c2e\u7b49\u7535\u5b50\u4f53\u5206\u5b50\u8bbe\u8ba1\u65b0\u601d\u8def\uff0c\u5408\u6210\u4e86\u4e09\u4e2a\u787c\u6c2e\u6742\u5e76\u4e5d\u82ef\u5206\u5b50<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u3001<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u4ee5\u53ca<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\uff0c\u521b\u9020\u4e86\u787c\u6c2e\u6742\u5e76\u82ef\u65b0\u7684\u957f\u5ea6\u7eaa\u5f55\u3002\u6df1\u5165\u7814\u7a76\u8868\u660e\uff0c\u53cc\u787c\u6742\u73af\u4e0e\u53cc\u6c2e\u6742\u73af\u7684\u76f8\u5bf9\u4f4d\u7f6e\u5bf9\u5176\u5c40\u57df\u53cd\u82b3\u9999\u6027\u5f3a\u5ea6\u5177\u6709\u91cd\u8981\u5f71\u54cd\uff0c\u8fdb\u800c\u8c03\u63a7\u4e86\u787c\u6c2e\u6742\u5e76\u82ef\u5206\u5b50\u8f68\u9053\u6392\u5e03\uff0c\u4ece\u800c\u4fc3\u8fdb\u4e86<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\u7684\u9ad8\u6548\u53d1\u5149\uff08\u53d1\u5149\u91cf\u5b50\u6548\u7387\u9ad8\u8fbe92%\uff09\u3002\u8be5\u5de5\u4f5c\u63d0\u51fa\u7684\u5177\u6709\u5c40\u57df\u53cd\u82b3\u9999\u6027\u7684\u787c\u6c2e\u7b49\u7535\u5b50\u8bbe\u8ba1\u65b0\u7406\u5ff5\u5c06\u4e3a\u65b0\u578b\u787c\u6c2e\u6742\u53d1\u5149\u6750\u6599\u7684\u53d1\u5c55\u63d0\u4f9b\u65b0\u7684\u601d\u8def\u3002\u76f8\u5173\u8bba\u6587\u4ee5\u9898\u4e3a\uff1aBN-Isosteres of Nonacene with Antiaromatic B<sub>2<\/sub>C<sub>4<\/sub>\u00a0and N<sub>2<\/sub>C<sub>4<\/sub>\u00a0Heterocycles: Synthesis and Strong Luminescence\u53d1\u8868\u5728<em><i>Angewandte Chemie<\/i><\/em>\u4e0a\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-257368\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-2-12.png\" alt=\"\" width=\"712\" height=\"293\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-2-12.png 712w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-2-12-300x123.png 300w\" sizes=\"(max-width: 712px) 100vw, 712px\" \/><\/p>\n<p><strong><b>\u56fe\u6587\u89e3\u6790<\/b><\/strong><\/p>\n<p><strong><b>\u5206\u5b50\u5408\u6210\u8def\u7ebf<\/b><\/strong><\/p>\n<p>\u4e09\u4e2a\u5206\u5b50\u7684\u5408\u6210\u8def\u7ebf\u5982\u56fe2\u6240\u793a\uff0c\u5176\u6838\u5fc3\u6b65\u9aa4\u662f\u5148\u901a\u8fc7\u53cc\u91cdBuchwald\u2013Hartwig\u5076\u8054\u53cd\u5e94\u6784\u5efa\u4e0d\u540c\u957f\u5ea6\u7684\u53cc\u6c2e\u6742\u5e76\u82ef<strong><b>3<\/b><\/strong>\u3001<strong><b>7<\/b><\/strong>\u3001<strong><b>1<\/b><\/strong><strong><b>0<\/b><\/strong>\uff0c\u7136\u540e\u5229\u7528\u7845\u787c\u4ea4\u6362\u53cd\u5e94\u6784\u7b51\u787c\u6c2e\u6742\u5e76\u4e5d\u82ef\u9aa8\u67b6\uff0c\u6700\u540e\u901a\u8fc7\u4eb2\u6838\u53d6\u4ee3\u53cd\u5e94\u5728\u787c\u539f\u5b50\u4e0a\u5f15\u5165\u4f4d\u963b\u57fa\u56e2\uff0c\u83b7\u5f97\u7a7a\u6c14\u7a33\u5b9a\u7684\u76ee\u6807\u5206\u5b50<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u3001<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u4ee5\u53ca<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-257369\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-3-10.png\" alt=\"\" width=\"800\" height=\"471\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-3-10.png 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-3-10-300x177.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-3-10-768x452.png 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/><\/p>\n<p><strong><b>\u56fe2.<\/b><\/strong>\u00a0\u787c\u6c2e\u6742\u5e76\u4e5d\u82ef\u7684\u5408\u6210\u8def\u7ebf\u3002\u53cd\u5e94\u8bd5\u5242\u4e0e\u6761\u4ef6\uff1a(a) Pd(dba)<sub>2<\/sub>, P<em><i>t<\/i><\/em>-Bu<sub>3<\/sub>\u2022HBF<sub>4<\/sub>, <em><i>t<\/i><\/em>-BuONa, toluene, 110\u2013120 \u00b0C, 18\u201324 h. (b) i) BBr<sub>3<\/sub>, heptane, 120 \u00b0C, 48 h; ii) MesMgBr, toluene, 0 \u00b0C to rt,18 h. Two-step yields: 6% for <strong><b>BN-1<\/b><\/strong>, 27% for <strong><b>BN-2<\/b><\/strong>, and 35% for <strong><b>BN-3<\/b><\/strong>. R<sup>1 <\/sup>= 3,5-(diisopropyl)phenyl; R<sup>2<\/sup>\u00a0= 4-<em><i>tert<\/i><\/em>-butylphenyl.<\/p>\n<p><strong><b>\u5355\u6676\u7ed3\u6784\u89e3\u6790\u4e0e\u53cd\u82b3\u9999\u6027\u8ba8\u8bba<\/b><\/strong><\/p>\n<p>\u5206\u5b50<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u548c<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u7684\u5355\u6676X\u5c04\u7ebf\u884d\u5c04\u7ed3\u6784\u5982\u56fe3\u6240\u793a\u3002\u901a\u8fc7\u5206\u6790N<sub>2<\/sub>C<sub>4<\/sub>\u548cB<sub>2<\/sub>C<sub>4<\/sub>\u73af\u7684\u952e\u957f\uff0c\u4f5c\u8005\u53d1\u73b0C\u2013N\u5355\u952e\u952e\u957f\uff081.39\u20131.41 \u00c5\uff09\u77ed\u4e8e\u4e09\u82b3\u57fa\u80faC\u2013N\u5355\u952e\u952e\u957f\uff081.42 \u00c5\uff09\uff1bC\u2013B\u5355\u952e\u952e\u957f\uff08ca. 1.55 \u00c5\uff09\u77ed\u4e8e\u4e09\u82b3\u57fa\u787cC\u2013B\u5355\u952e\u952e\u957f\uff081.58 \u00c5\uff09\uff1b\u800c\u4e24\u4e2a\u6742\u73af\u4e2d\u7684C=C\u53cc\u952e\u952e\u957f\uff081.41\u20131.46 \u00c5\uff09\u5219\u957f\u4e8e\u7406\u60f3\u82b3\u73af\u7684C=C\u53cc\u952e\u952e\u957f\uff081.38 \u00c5\uff09\u3002\u8fd9\u4e9b\u7ed3\u679c\u8868\u660eN<sub>2<\/sub>C<sub>4<\/sub>\u548cB<sub>2<\/sub>C<sub>4<\/sub>\u73af\u4e2d\u7684\u03c0\u7535\u5b50\u662f\u79bb\u57df\u7684\uff0c\u56e0\u6b64\u5206\u522b\u5177\u67098\u03c0\u548c4\u03c0\u7535\u5b50\u53cd\u82b3\u9999\u6027\u7684\u7279\u70b9\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-257370\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-4-9.png\" alt=\"\" width=\"800\" height=\"541\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-4-9.png 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-4-9-300x203.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-4-9-768x519.png 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/><\/p>\n<p><strong><b>\u56fe3.<\/b><\/strong>\u00a0<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u548c<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u7684\u5355\u6676\u7ed3\u6784\u89e3\u6790<\/p>\n<p>\u8fdb\u4e00\u6b65\u7684\u7406\u8bba\u8ba1\u7b97\u4e0d\u4ec5\u8bc1\u660e\u4e86N<sub>2<\/sub>C<sub>4<\/sub>\u548cB<sub>2<\/sub>C<sub>4<\/sub>\u73af\u7684\u53cd\u82b3\u9999\u6027\uff0c\u800c\u4e14NICS(1)<sub>zz<\/sub>\u503c\u8868\u660e\u968f\u7740\u4e24\u4e2a\u6742\u73af\u76f8\u5bf9\u4f4d\u7f6e\u53d8\u8fdc\uff0cN<sub>2<\/sub>C<sub>4<\/sub>\u73af\u7684\u53cd\u82b3\u9999\u6027\u9010\u6e10\u4e0b\u964d\uff0c\u800cB<sub>2<\/sub>C<sub>4<\/sub>\u73af\u7684\u53cd\u82b3\u9999\u6027\u51e0\u4e4e\u4e0d\u53d8\uff08\u56fe4\uff09\u3002\u901a\u8fc7\u5206\u5b50\u5076\u6781\u77e9\u8ba1\u7b97\u4ee5\u53ca\u5bf9\u5206\u5b50\u4e2d\u6027\u548c\u7535\u8377\u5206\u79bb\u5171\u632f\u5f0f\u7684\u5076\u6781\u77e9\u8d21\u732e\u5206\u6790\uff0c\u4f5c\u8005\u53d1\u73b0\u4e24\u4e2a\u6742\u73af\u76f8\u8ddd\u8d8a\u8fdc\uff0c\u7535\u8377\u5206\u79bb\u5171\u632f\u5f0f\u5bf9\u5206\u5b50\u7535\u5b50\u7ed3\u6784\u7684\u8d21\u732e\u8d8a\u5927\uff0c\u8fdb\u800c\u51cf\u5f31\u4e86N<sub>2<\/sub>C<sub>4<\/sub>\u73af\u7684\u53cd\u82b3\u9999\u6027\uff08\u56fe1c\uff09\u3002\u800cB<sub>2<\/sub>C<sub>4<\/sub>\u73af\u51e0\u4e4e\u4e0d\u53d8\u7684\u53cd\u82b3\u9999\u6027\u5219\u662f\u7531\u4e8e\u5176\u8fd8\u53d7\u5230\u53f3\u4fa7\u82b3\u73af\u7684\u79bb\u57df\u7a33\u5b9a\u4f5c\u7528\uff0c\u4e24\u79cd\u8d8b\u52bf\u76f8\u53cd\u7684\u4f5c\u7528\u5171\u540c\u51b3\u5b9a\u4e86\u5176\u51e0\u4e4e\u4e0d\u53d8\u7684\u53cd\u82b3\u9999\u6027\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-257371\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-5-6.png\" alt=\"\" width=\"800\" height=\"722\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-5-6.png 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-5-6-300x271.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-5-6-768x693.png 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" 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loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-257372\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-6-6.png\" alt=\"\" width=\"800\" height=\"639\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-6-6.png 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-6-6-300x240.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-6-6-768x613.png 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" \/><\/p>\n<p><strong><b>\u56fe5.<\/b><\/strong>\u00a0\u787c\u6c2e\u6742\u5e76\u4e5d\u82ef\u7684\u5149\u7269\u7406\u6027\u8d28\u8868\u5f81\u3002\uff08a\uff09\u5438\u6536\u5149\u8c31\uff1b\uff08b\uff09\u8367\u5149\u5149\u8c31\uff1b\uff08c\uff09\u8367\u5149\u5bff\u547d\uff1b\uff08d\uff09\u8f90\u5c04\u901f\u7387<em><i>k<\/i><\/em><sub>r<\/sub>\u3001\u975e\u8f90\u5c04\u901f\u7387<em><i>k<\/i><\/em><sub>nr<\/sub>\u548c\u53d1\u5149\u6548\u7387<em><i>\u03a6<\/i><\/em><sub>F<\/sub>\u7684\u5173\u7cfb<\/p>\n<p><strong><b>\u5206\u5b50\u8f68\u9053\u5206\u6790<\/b><\/strong><\/p>\n<p>\u4e3a\u4e86\u8fdb\u4e00\u6b65\u7406\u89e3<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\u9ad8\u6548\u53d1\u5149\u7684\u539f\u56e0\uff0c\u4f5c\u8005\u5bf9\u6bd4\u4e86\u4e24\u4e2a\u53cd\u82b3\u9999\u6027\u6742\u73af\u3001\u4e09\u4e2a\u787c\u6c2e\u6742\u5e76\u4e5d\u82ef\u4ee5\u53ca\u5168\u78b3\u5e76\u4e5d\u82ef\u7684\u5206\u5b50\u8f68\u9053\u5206\u5e03\u3002\u7531\u56fe6\u53ef\u4ee5\u770b\u51fa\uff0c<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u3001<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u548c<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\u7684LUMO\u4e0eB<sub>2<\/sub>C<sub>4<\/sub>\u73af\u7684LUMO\u6709\u7740\u76f8\u4f3c\u7684\u5206\u5e03\u7279\u5f81\uff0c\u8868\u660eB<sub>2<\/sub>C<sub>4<\/sub>\u73af\u51b3\u5b9a\u4e86\u787c\u6c2e\u5e76\u4e5d\u82ef\u7684LUMO\u5206\u5e03\u3002\u6b64\u5916\uff0c<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u3001<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u548c<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\u76f8\u8fd1\u7684LUMO\u80fd\u7ea7\u4e5f\u4e0e\u5176B<sub>2<\/sub>C<sub>4<\/sub>\u73af\u76f8\u4f3c\u7684\u53cd\u82b3\u9999\u6027\u5f3a\u5ea6\u4e00\u81f4\u3002\u53e6\u4e00\u65b9\u9762\uff0c<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u548c<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u7684HOMO\u4e0eN<sub>2<\/sub>C<sub>4<\/sub>\u73af\u7684HOMO\u6709\u7740\u76f8\u4f3c\u7684\u5206\u5e03\u7279\u5f81\uff0c\u8868\u660eN<sub>2<\/sub>C<sub>4<\/sub>\u73af\u5bf9\u787c\u6c2e\u5e76\u4e5d\u82ef\u7684HOMO\u6709\u7740\u91cd\u8981\u5f71\u54cd\u3002\u4ece<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u5230<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong><strong><b>\uff0c<\/b><\/strong>HOMO\u80fd\u7ea7\u7684\u964d\u4f4e\u4e0eN<sub>2<\/sub>C<sub>4<\/sub>\u73af\u53cd\u82b3\u9999\u6027\u51cf\u5f31\u6709\u5173\u3002\u968f\u7740<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\u7684N<sub>2<\/sub>C<sub>4<\/sub>\u73af\u53cd\u82b3\u9999\u6027\u7684\u8fdb\u4e00\u6b65\u964d\u4f4e\uff0c\u4e0eN<sub>2<\/sub>C<sub>4<\/sub>\u73af\u5177\u6709\u76f8\u4f3c\u5206\u5e03\u7684\u5206\u5b50\u8f68\u9053\u7684\u80fd\u91cf\u7ee7\u7eed\u964d\u4f4e\uff0c\u4f7f\u5176\u4f4e\u4e8e\u4e0e<strong><b>BN<\/b><\/strong><strong><b>-1<\/b><\/strong>\u548c<strong><b>BN<\/b><\/strong><strong><b>-2<\/b><\/strong>\u4e2dHOMO-1\u5206\u5e03\u76f8\u4f3c\u7684\u8f68\u9053\uff08\u7531\u5e76\u4e5d\u82efHOMO\u51b3\u5b9a\u7684\u8f68\u9053\uff09\uff0c\u8fdb\u800c\u53d1\u751f\u5206\u5b50\u8f68\u9053\u6392\u5e03\u7684\u201c\u7ffb\u8f6c\u201d\u3002\u8fd9\u79cd\u5206\u5b50\u8f68\u9053\u6392\u5e03\u7684\u201c\u7ffb\u8f6c\u201d\u4f7f<strong><b>BN<\/b><\/strong><strong><b>-3<\/b><\/strong>\u7684HOMO\u548cLUMO\u5177\u6709\u66f4\u5927\u7684\u91cd\u53e0\uff0c\u6709\u5229\u4e8e\u4ea7\u751f\u66f4\u5927\u7684\u8dc3\u8fc1\u632f\u5b50\u5f3a\u5ea6\uff08<em><i>f<\/i><\/em>\u00a0= 0.240\uff09\uff0c\u8fdb\u800c\u5b9e\u73b0\u66f4\u5feb\u7684<em><i>k<\/i><\/em><sub>r<\/sub>\u548c\u66f4\u9ad8\u7684<em><i>\u03a6<\/i><\/em><sub>F<\/sub>\u3002<\/p>\n<p><img loading=\"lazy\" decoding=\"async\" class=\"aligncenter size-full wp-image-257373\" src=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-7-2.png\" alt=\"\" width=\"800\" height=\"716\" srcset=\"\/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-7-2.png 800w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-7-2-300x269.png 300w, \/\/m.iemloyee.com\/wp-content\/uploads\/2024\/01\/\u56fe\u7247-7-2-768x687.png 768w\" sizes=\"(max-width: 800px) 100vw, 800px\" 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