{"id":49333,"date":"2023-11-17T08:04:39","date_gmt":"2023-11-17T00:04:39","guid":{"rendered":"https:\/\/www.chemhui.com\/?p=49333"},"modified":"2023-10-31T10:05:05","modified_gmt":"2023-10-31T02:05:05","slug":"nature%e5%ad%90%e5%88%8a%ef%bc%9a%e5%8e%9f%e5%ad%90%e9%ab%98%e8%87%aa%e6%97%8b%e9%92%b4ii%e4%b8%ad%e5%bf%83%e7%94%a8%e4%ba%8e%e9%ab%98%e9%80%89%e6%8b%a9%e6%80%a7%e7%94%b5%e5%8c%96%e5%ad%a6co","status":"publish","type":"post","link":"http:\/\/www.chemhui.com\/nature%e5%ad%90%e5%88%8a%ef%bc%9a%e5%8e%9f%e5%ad%90%e9%ab%98%e8%87%aa%e6%97%8b%e9%92%b4ii%e4%b8%ad%e5%bf%83%e7%94%a8%e4%ba%8e%e9%ab%98%e9%80%89%e6%8b%a9%e6%80%a7%e7%94%b5%e5%8c%96%e5%ad%a6co\/","title":{"rendered":"Nature\u5b50\u520a\uff1a\u539f\u5b50\u9ad8\u81ea\u65cb\u94b4(II)\u4e2d\u5fc3\u7528\u4e8e\u9ad8\u9009\u62e9\u6027\u7535\u5316\u5b66CO\u8fd8\u539f\u4e3aCH3OH"},"content":{"rendered":"
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\"1\"<\/section>\n
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\"2\"<\/section>\n
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\"3\"<\/section>\n
\u56fe3<\/strong>.\u00a0\u5de5\u51b5ATR-SEIRAS \u548c KIE \u6d4b\u91cf\u3002<\/strong><\/section>\n
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\"4\"<\/section>\n
\u56fe4.\u00a0<\/strong>\u7535\u5b50\u7ed3\u6784\u5206\u6790\u3002<\/strong><\/section>\n
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\u70ed\u5904\u7406\u540e\uff0cB-CoPc-400 \u4e2d Co2+<\/sup>\u00a0\u7684 L2,3<\/sub>-edge \u7ebf\u5f62\u53d1\u751f\u4e86\u663e\u8457\u53d8\u5316\u3002\u4f5c\u8005\u8fd8\u8ba1\u7b97\u4e86 B-CoPc-RT \u548c B-CoPc-400 \u7684\u7406\u8bba\u5149\u8c31\uff0c\u7ecf\u8fc7\u70ed\u5904\u7406\u540e\uff0cCo \u5468\u56f4\u7684\u914d\u4f4d\u73af\u5883\u53d1\u751f\u4e86\u4e25\u91cd\u626d\u66f2\uff0c Co \u4e2d\u5fc3\u4ece LS \u8fc7\u6e21\u5230 HS\uff0c\u4f34\u968f\u7740 a1g<\/sub>\u00a0(dz<\/sub>22<\/sup>) \u8f68\u9053\u6c34\u5e73\u7684\u964d\u4f4e\u548c eg<\/sub>\u00a0(dxz<\/sub>1<\/sup>, dyz<\/sub>1<\/sup>) \u8f68\u9053\u6c34\u5e73\u7684\u5347\u9ad8\uff0c\u5c06\u5f71\u54cd CO \u5206\u5b50\u5728 Co \u4e2d\u5fc3\u7684\u5438\u9644\u4ee5\u53ca *CO \u4e2d\u7684\u7535\u8377\u5206\u5e03\u3002<\/section>\n
\"5\"<\/section>\n
\u56fe5.\u00a0<\/strong>CORR\u53cd\u5e94\u673a\u7406\u3002<\/strong><\/section>\n
\u4f5c\u8005\u8fdb\u4e00\u6b65\u4f7f\u7528DFT\u660e\u786e\u94b4\u81ea\u65cb\u6001\u5bf9 CORR \u6027\u80fd\u7684\u5f71\u54cd\u4ee5\u6bd4\u8f83 CORR \u5728 CoPc \u548c\u626d\u66f2 CoPc \u4e0a\u7684\u53cd\u5e94\u81ea\u7531\u80fd\u3002\u4e0e HS-Co2+<\/sup>-15\u00b0 \u76f8\u6bd4\uff0cLS-Co2+<\/sup>-(15\u00b0) CORR \u7684\u51b3\u901f\u6b65\u662f *CH3<\/sub>OH \u7684\u89e3\u5438\uff0cH-Co2+<\/sup>-(15\u00b0) \u50ac\u5316\u4e2d\u5fc3\u5728\u80fd\u91cf\u4e0a\u6709\u5229\u4e8e CORR \u8f6c\u5316\u7532\u9187\u3002CO \u5728 LS-Co2+<\/sup>-0\u00b0 \u4e0a\u7684\u5438\u9644\u6bd4\u5728 LS-Co2+<\/sup>-15\u00b0 \u548c HS-Co2+<\/sup>-15\u00b0 \u4e0a\u7684\u5438\u9644\u5728\u80fd\u91cf\u4e0a\u7565\u5fae\u6709\u5229\uff0c\u800c\u5728 LS-Co2+<\/sup>-0\u00b0 \u4e0a\u7684 CORR \u53d7\u9650\u4e8e *CO \u548c *OCH2<\/sub>\u00a0\u52a0\u6c22\u6b65\u9aa4\u3002<\/section>\n
\u6b64\u5916\uff0c\u7535\u8377\u5bc6\u5ea6\u5dee\u8ba1\u7b97\u548c\u76f8\u5e94\u7684\u7535\u8377\u8f6c\u79fb\u5206\u6790\u663e\u793a\u5438\u9644\u5728 Co \u4f4d\u70b9\u4e0a\u7684 CO \u7684 nCT \u662f \u03c3 \u548c \u03c0 \u4e24\u4e2a\u5206\u91cf\u7684\u534f\u540c\u8d21\u732e\u3002CO \u5206\u5b50\u524d\u6cbf\u8f68\u9053\uff085\u03c3 \u548c 2\u03c0*\uff09\u4e0e LS-Co2+<\/sup>-0\u00b0 \u548c HS-Co2+<\/sup>-15\u00b0 \u7684 3d \u8f68\u9053\u4e4b\u95f4\u7684\u76f8\u4e92\u4f5c\u7528\u3002\u4e0e LS-Co2+<\/sup>-0\u00b0 \u76f8\u6bd4\uff0cHS-Co2+<\/sup>-15\u00b0 \u7684 3dz<\/sub>2<\/sup>\u00a0\u8f68\u9053\u88ab\u5b8c\u5168\u5360\u636e\uff0c\u5bfc\u81f4 HS-Co2+<\/sup>\u00a0\u5bf9 CO \u7684\u5438\u9644\u51cf\u5f31\uff0c\u8fd9\u4e0e DFT \u8ba1\u7b97\u7ed3\u679c\u4e00\u81f4\u3002<\/section>\n
HS-Co2+<\/sup>-15\u00b0 \u7684 3dz2-5\u03c3 \u8f83\u5f31\uff0c\u4e14\u6709\u66f4\u591a\u7684\u7535\u5b50\u901a\u8fc7\u03c0\u53cd\u6350\u8d60\u4ece Co \u8f6c\u79fb\u5230 *CO\uff0c\u5bfc\u81f4 CO \u5230 Co \u4f4d\u70b9\u7684 nCT \u8f83\u5c0f\uff0c\u4ece\u800c\u4f7f\u66f4\u591a\u7684\u7535\u5b50\u805a\u96c6\u5728 *CO \u7684 2\u03c0* \u8f68\u9053\u4e0a\uff0c\u8fd9\u5c06\u6709\u6548\u5730\u4fc3\u8fdb CO \u8fd8\u539f\u4e2d\u95f4\u4f53 ca.CORR\u4e2d\u7684*CO\uff08\u7c7b\u4f3c\u4e8e*OCH2<\/sub>\uff09\u3002\u4e00\u65e6 *CO \u5728 Co \u4f4d\u70b9\u4e0a\u5f62\u6210\uff0c\u5728\u9634\u6781\u504f\u538b\u4f5c\u7528\u4e0b\uff0c\u6765\u81ea\u7535\u6781\u7684\u7535\u5b50\u5c06\u586b\u5165 Co \u4f4d\u70b9\u7684\u6700\u9ad8\u975e\u914d\u5bf9\u8f68\u9053\uff0c\u5373 LS-Co2+<\/sup>-0\u00b0 \u548c HS-Co2+<\/sup>-15\u00b0 \u7684 3dz2 \u548c 3dxz\/dyz\u3002<\/section>\n
\u5728 LS-Co2+<\/sup>-0\u00b0-CO \u7684\u60c5\u51b5\u4e0b\uff0c\u6765\u81ea\u7535\u6781\u7684\u7535\u5b50\u5c06\u586b\u5165 3dz2-5\u03c3 \u952e\u7684\u53cd\u952e\u8f68\u9053\uff0c\u5bfc\u81f4 *CO \u5438\u9644\u5f3a\u5ea6\u51cf\u5f31\uff0c\u4e0d\u5229\u4e8e *CO \u8fd8\u539f\u3002\u800c\u5728 HS-Co2+<\/sup>-15\u00b0-CO \u7684\u60c5\u51b5\u4e0b\uff0c\u6765\u81ea\u7535\u6781\u7684\u7535\u5b50\u5c06\u586b\u5165 3dxz<\/sub>\/dyz<\/sub>-2\u03c0* \u952e\u7684\u6210\u952e\u8f68\u9053\uff0c\u4ece\u800c\u524a\u5f31*CO \u4e2d\u7684 C-O \u952e\uff0c\u4ece\u800c\u6709\u6548\u4fc3\u8fdb*CO \u7684\u6c22\u5316\u3002<\/section>\n
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\u6587\u732e\u4fe1\u606f<\/strong><\/section>\n<\/section>\n<\/section>\n<\/section>\n<\/section>\n
<\/section>\n
Ding, J., Wei, Z., Li, F.\u00a0et al.<\/em>\u00a0Atomic high-spin cobalt(II) center for highly selective electrochemical CO reduction to CH3<\/sub>OH.\u00a0Nat Commun<\/em>\u00a014<\/strong>, 6550 (2023).<\/section>\n
https:\/\/doi.org\/10.1038\/s41467-023-42307-1<\/section>\n

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