{"id":69575,"date":"2016-03-19T08:18:05","date_gmt":"2016-03-19T00:18:05","guid":{"rendered":"http:\/\/highscope.ch.ntu.edu.tw\/wordpress\/?p=69575"},"modified":"2021-10-06T16:09:36","modified_gmt":"2021-10-06T08:09:36","slug":"%e6%b0%a7%e6%b0%a3%e4%b9%8b%e5%88%86%e5%ad%90%e8%bb%8c%e5%9f%9f%e5%8f%8a%e4%b8%89%e9%87%8d%e6%85%8b%e7%9a%84%e7%89%b9%e6%80%a7%ef%bc%88%e4%b8%8b%ef%bc%89","status":"publish","type":"post","link":"http:\/\/localhost\/%e6%b0%a7%e6%b0%a3%e4%b9%8b%e5%88%86%e5%ad%90%e8%bb%8c%e5%9f%9f%e5%8f%8a%e4%b8%89%e9%87%8d%e6%85%8b%e7%9a%84%e7%89%b9%e6%80%a7%ef%bc%88%e4%b8%8b%ef%bc%89\/","title":{"rendered":"\u6c27\u6c23\u4e4b\u5206\u5b50\u8ecc\u57df\u53ca\u4e09\u91cd\u614b\u7684\u7279\u6027\uff08\u4e0b\uff09"},"content":{"rendered":"

\u6c27\u6c23\u4e4b\u5206\u5b50\u8ecc\u57df\u53ca\u4e09\u91cd\u614b\u7684\u7279\u6027\uff08\u4e0b\uff09The properties of oxygen\u2019s molecular orbitals and triplet state (III)<\/strong><\/span>
\n\u570b\u7acb\u81fa\u7063\u5e2b\u7bc4\u5927\u5b78\u5316\u5b78\u7cfb\u517c\u4efb\u6559\u6388 \u90b1\u667a\u5b8f\u6559\u6388<\/strong><\/span><\/p>\n

\u9023\u7d50\uff1a\u00a0\u6c27\u6c23\u4e4b\u5206\u5b50\u8ecc\u57df\u53ca\u4e09\u91cd\u614b\u7684\u7279\u6027\uff08\u4e2d\uff09<\/a><\/p>\n

\u4e09\u3001\u6c27\u6c23\u7684\u9806\u78c1\u6027\u548c\u4e09\u91cd\u614b<\/span><\/strong><\/p>\n

\u6709\u4e86\u5716\u56db\u7684\u5206\u5b50\u8ecc\u57df\u80fd\u968e\u5716\uff0c\u4fbf\u53ef\u5c07\u6c27\u5206\u5b50\u6240\u542b\u7684 $$12$$ \u500b\u50f9\u96fb\u5b50\u5f9e\u4f4e\u80fd\u968e\u5f80\u9ad8\u80fd\u968e\u586b\uff0c\u85c9\u6b64\u4fbf\u53ef\u6aa2\u9a57\u6c27\u6c23\u5206\u5b50\u7684\u9375\u7d50\u6578\u53ca\u9806\u78c1\u6027\u3002<\/p>\n

\u96fb\u5b50\u586b\u5165\u57fa\u614b\u5206\u5b50\u8ecc\u57df\u7684\u65b9\u5f0f\u548c\u539f\u5b50\u8ecc\u57df\u76f8\u4f3c\uff0c\u5fc5\u9808\u9075\u5b88\u69cb\u7bc9\u6cd5\u5247(Aufau principle)\u3001\u5e96\u7acb\u4e0d\u76f8\u5bb9\u539f\u7406(Pauli exclusion principle)\u53ca\u7f55\u5fb7\u5b9a\u5247(Hund’s rule)\uff0c\u56e0\u6b64\u6c27\u5206\u5b50\u7684\u57fa\u614b\u96fb\u5b50\u7d44\u614b\u53ef\u8868\u793a\u5982\u4e0b\uff1a$$2\\sigma^{2}_{g}2\\sigma^{*2}_{u}3\\sigma^{2}_{g}1\\pi^{2}_{ux}1\\pi^{2}_{uy}1\\pi^{*1}_{ux}1\\pi^{*1}_{uy}$$\u3002<\/p>\n

\u7531\u5de6\u5f0f\u53ef\u770b\u51fa\u6709\u4e8c\u500b\u672a\u6210\u5c0d\u7684\u96fb\u5b50\uff0c\u56e0\u6b64\u5176 $$2S+1=3$$\uff0c\u4ea6\u5373\u6c27\u5206\u5b50\u70ba\u4e09\u91cd\u614b\uff0c\u5408\u4e4e\u5be6\u9a57\u7684\u89c0\u5bdf\uff0c\u6c27\u5206\u5b50\u662f\u9806\u78c1\u6027\u7684\u7269\u8cea\uff0c\u7531\u5716\u4e09\u8def\u6613\u65af\u7d50\u69cb\u6240\u8868\u793a\u7684\u55ae\u91cd\u614b\u53cd\u800c\u662f\u6d3b\u6027\u8f03\u9ad8\u7684\u6fc0\u767c\u614b\u3002\u53e6\u5916\uff0c\u5229\u7528\u4e0b\u5f0f\u53ef\u7531\u5206\u5b50\u8ecc\u57df\u7684\u96fb\u5b50\u586b\u6cd5\u8a08\u7b97\u539f\u5b50\u9593\u7684\u9375\u7d50\u91cf(bond order)\u3002<\/p>\n

\u9375\u7d50\u91cf = (\u586b\u5165\u9375\u7d50\u8ecc\u57df\u7684\u96fb\u5b50\u6578\u7e3d\u548c\uff0d\u586b\u5165\u53cd\u9375\u7d50\u8ecc\u57df\u7684\u96fb\u5b50\u6578\u7e3d\u548c)\/2<\/p>\n

\u6c27\u5206\u5b50\u586b\u5165\u9375\u7d50\u8ecc\u57df\u96fb\u5b50\u6709 $$8$$ \u500b\uff0c\u586b\u5165\u53cd\u9375\u7d50\u8ecc\u57df\u7684\u96fb\u5b50\u6578\u6709 $$4$$ \u500b\uff0c\u6545\u5176\u70ba\u96d9\u9375\u7684\u9375\u7d50\u91cf\uff0c\u4ea6\u548c\u4e8b\u5be6\u76f8\u7b26\u3002<\/p>\n

\u4e00\u4e9b\u5be6\u9a57\u4e2d\u5e38\u898b\u7684 $$\\mathrm{O_2}$$\u00a0\u96e2\u5b50\u5982 $$\\mathrm{O^{+}_2}$$\u3001$$\\mathrm{O^{-}_2}$$\u3001$$\\mathrm{O^{2-}_2}$$\u3001\u5176\u9375\u9577\u3001\u89e3\u96e2\u80fd\u3001\u9375\u7d50\u91cf\u53ca\u9806\u3001\u53cd\u78c1\u6027\u7b49\u6027\u8cea\uff0c\u8a73\u5982\u8868\u4e00\u6240\u793a\uff0c\u82e5\u4ee5\u5206\u5b50\u8ecc\u57df\u7684\u6982\u5ff5\u5373\u80fd\u7cbe\u6e96\u7684\u9810\u6e2c\u5176\u6027\u8cea\u3002<\/p>\n

\u4f8b\u5982 $$\\mathrm{O^{+}_2}$$\u00a0\u6bd4\u6c27\u5206\u5b50\u5c11 $$1$$ \u500b\u50f9\u96fb\u5b50\uff0c\u5176\u96fb\u5b50\u7d44\u614b\u70ba\uff1a$$2\\sigma^{2}_{g}2\\sigma^{*2}_{u}3\\sigma^{2}_{g}1\\pi^{2}_{ux}1\\pi^{2}_{uy}1\\pi^{*1}_{ux}$$\uff0c\u4f9d\u820a\u6709\u4e00\u500b\u672a\u6210\u5c0d\u96fb\u5b50\uff0c\u70ba\u96d9\u91cd\u614b\u5177\u6709\u9806\u78c1\u6027\uff0c\u5176\u9375\u7d50\u91cf\u70ba $$(8-3)\/2=2.5$$\uff0c\u6bd4\u6c27\u5206\u5b50\u7684\u96d9\u9375\u66f4\u5927\uff0c\u6545\u5176\u9375\u9577\u6bd4\u6c27\u5206\u5b50\u7684 $$121 ~pm$$ \u66f4\u77ed\u70ba $$112~pm$$\uff0c\u89e3\u96e2\u80fd\u81ea\u7136\u4e5f\u9ad8\u65bc\u6c27\u5206\u5b50\u3002<\/p>\n

\u76f8\u540c\u5730\uff0c\u5176\u4ed6 $$\\mathrm{O_2}$$\u00a0\u96e2\u5b50\u7684\u7279\u6027\u4e5f\u53ef\u4ee5\u7528\u5206\u5b50\u8ecc\u57df\u7684\u96fb\u5b50\u7d44\u614b\u52a0\u4ee5\u9810\u6e2c\uff0c\u6709\u8208\u8da3\u7684\u8b80\u8005\u53ef\u4ee5\u81ea\u884c\u5617\u8a66\u3002<\/p>\n

\"69575_c1\"<\/a>

\u8868\u4e00 \u5e38\u898b\u6c27\u5206\u5b50\u53ca\u5176\u96e2\u5b50\u7684\u4e00\u4e9b\u57fa\u672c\u6027\u8cea (\u4f5c\u8005\u6574\u7406)<\/p><\/div>\n

\u6709\u95dc\u7b2c\u4e8c\u5217\u5143\u7d20\u4e4b\u540c\u6838\u96d9\u539f\u5b50\u5206\u5b50\u7684\u5206\u5b50\u8ecc\u57df\u96fb\u5b50\u7d44\u614b\u3001\u9375\u7d50\u91cf\u53ca\u9806\u78c1\u6027\uff0c\u8a73\u5982\u8868\u4e8c\uff0c\u8868\u4e2d\u6c27\u3001\u6c1f\u3001\u6c26\u7684\u96fb\u5b50\u7d44\u614b\u9069\u7528\u5716\u56db\u7684\u80fd\u968e\u5716\uff0c\u5176\u4ed6\u7684\u5206\u5b50\u5247\u9700\u5c07 $$3\\sigma_g$$ \u8ecc\u57df\u80fd\u968e\u7684\u4f4d\u7f6e\u548c $$1\\pi_{ux}$$\u3001$$1\\pi_{uy}$$ \u4e92\u63db\uff0c\u7406\u7531\u5df2\u5982\u4e0a\u8ff0\u3002<\/p>\n

\u7531\u8868\u4e2d\u53ef\u770b $$\\mathrm{Be_2}$$\u3001$$\\mathrm{Ne_2}$$\u00a0\u7684\u9375\u7d50\u91cf\u70ba $$0$$\uff0c\u4ee3\u8868\u4e00\u822c\u60c5\u6cc1\u4e0b\u6ca1\u6709\u9019\u6a23\u7684\u5206\u5b50\u5b58\u5728\u3002\u800c $$\\mathrm{B_2}$$\u00a0\u5206\u5b50\u5247\u70ba\u55ae\u9375\u3001\u4e09\u91cd\u614b\u5177\u6709\u9806\u78c1\u6027\u7684\u7269\u8cea\uff0c\u6c2e\u6c23\u5247\u70ba\u53c3\u9375\u7684\u5316\u5408\u7269\uff0c\u4e00\u5982\u5be6\u9a57\u89c0\u5bdf\u7684\u7d50\u679c\u3002<\/p>\n

\"69575_c2\"<\/a>

\u8868\u4e8c \u7b2c\u4e8c\u5217\u5143\u7d20\u7684\u540c\u6838\u96d9\u539f\u5b50\u5206\u5b50\u4e4b\u5206\u5b50\u8ecc\u57df\u7684\u96fb\u5b50\u7d44\u614b\u3001\u9375\u7d50\u91cf\u53ca\u9806\u78c1\u6027 (\u4f5c\u8005\u6574\u7406)<\/p><\/div>\n

\u56db\u3001\u7d50\u8ad6<\/span><\/strong><\/p>\n

\u8def\u6613\u65af\u7d50\u69cb\u7121\u6cd5\u6e96\u78ba\u7684\u63cf\u8ff0\u6c27\u5206\u5b50\u7684\u9806\u78c1\u6027\u53ca\u4e09\u91cd\u614b\uff0c\u82e5\u900f\u904e LCAO \u6240\u69cb\u6210\u7684\u5206\u5b50\u8ecc\u57df\uff0c\u4fbf\u80fd\u6e05\u695a\u7684\u8aaa\u660e\u5176\u70ba\u96d9\u9375\u5316\u5408\u7269\uff0c\u5728\u57fa\u614b\u6642\u96fb\u5b50\u7d44\u614b\u5177\u6709 $$2$$ \u500b\u672a\u6210\u5c0d\u7684\u96fb\u5b50\uff0c\u70ba\u4e09\u91cd\u614b\u662f\u9806\u78c1\u6027\u7684\u7269\u8cea\u3002<\/p>\n

\u4ee5\u8def\u6613\u65af\u7d50\u69cb\u6240\u986f\u793a\u7684\u55ae\u91cd\u614b\u5206\u5b50\uff0c\u53cd\u800c\u662f\u7531\u57fa\u614b\u5206\u5b50\u5438\u6536\u80fd\u91cf\u800c\u5448\u73fe\u7684\u6fc0\u767c\u614b\uff0c\u5177\u6709\u8f03\u9ad8\u7684\u6d3b\u6027\u3002<\/p>\n

\u7b2c\u4e8c\u5217\u5143\u7d20\u7531\u53f3\u5411\u5de6\uff0c\u96a8\u8457\u539f\u5b50\u6838\u4e2d\u8cea\u5b50\u6578\u7684\u6e1b\u5c11\u6703\u9020\u6210 $$2s$$ \u548c $$2p$$ \u8ecc\u57df\u7684\u80fd\u91cf\u66f4\u70ba\u63a5\u8fd1\uff0c\u56e0\u6b64\u7c21\u5316 LCAO \u7684\u65b9\u5f0f\u4fbf\u4e0d\u80fd\u5c07 $$2s$$ \u548c $$2p$$ \u5206\u958b\u4f86\u7d44\u5408\uff0c\u5176\u7d93\u904e\u8f03\u8907\u96dc\u7684\u8a08\u7b97\uff0c\u767c\u73fe\u6c27\u4ee5\u524d\u5143\u7d20\u5305\u62ec\u92f0\u3001\u9239\u3001\u787c\u3001\u78b3\u3001\u6c2e\uff0c\u5176\u5206\u5b50\u8ecc\u57df\u7684\u80fd\u968e\u5716\uff0c\u9700\u5c07\u5716\u56db\u4e2d $$3\\sigma_g$$ \u8ecc\u57df\u80fd\u968e\u7684\u4f4d\u7f6e\u548c $$1\\pi_{ux}$$\u3001$$1\\pi_{uy}$$ \u4e92\u63db\u3002<\/p>\n

\u4f9d\u64da\u8abf\u6574\u524d\u3001\u5f8c\u7684\u4e8c\u7a2e\u80fd\u968e\u5716\u5373\u80fd\u5b8c\u6574\u7684\u9810\u6e2c\u7b2c\u4e8c\u5217\u5143\u7d20\u7684\u540c\u6838\u96d9\u539f\u5b50\u5206\u5b50\u7684\u4e00\u4e9b\u6027\u8cea\uff0c\u5305\u62ec\u8a72\u5206\u5b50\u662f\u5426\u5b58\u5728\u3001\u9375\u7d50\u91cf\u591a\u5c11\u3001\u91cd\u614b\u6578\u53ca\u662f\u5426\u70ba\u9806\u78c1\u6027\u7269\u8cea\u7b49\u3002\u81f3\u65bc\u540c\u6838\u96d9\u539f\u5b50\u5206\u5b50\u7684\u5206\u5b50\u8ecc\u57df\u80fd\u968e\u5716\uff0c\u80fd\u4e0d\u80fd\u9069\u7528\u65bc\u7570\u6838\u96d9\u539f\u5b50\u5206\u5b50\uff0c\u5247\u662f\u53e6\u5916\u4e00\u500b\u503c\u5f97\u5b78\u7fd2\u7684\u8ab2\u984c\u3002<\/p>\n

\n

\u53c3\u8003\u6587\u737b<\/strong><\/p>\n

    \n
  1. Mortimer, R. G. (2008) <\/span>Physical Chemistry<\/span><\/i> (3rd ed.). p842~850, Elsevier Academic Press.<\/span><\/li>\n
  2. \u8449\u540d\u5009\u3001\u5289\u5982\u71b9\u3001\u90b1\u667a\u5b8f\u3001\u5468\u82b3\u5983\u3001\u9673\u5efa\u83ef\u3001\u9673\u5049\u6c11\uff082013 \u5e74\uff09\u9ad8\u7d1a\u4e2d\u5b78\u57fa\u790e\u5316\u5b78\uff08\u4e8c\uff09\u3002\u5357\u4e00\u66f8\u5c40\u3002\u7b2c 20~30 \u9801\u3002<\/span><\/li>\n
  3. \u9806\u78c1\u6027 Paramagnetism \uff5c\u674e\u921e\u97072015\u85dd\u8853\u6587\u5316\u8b80\u66f8\u6703\u3002<\/span>http:\/\/earthkart2011.blogspot.tw\/2013\/02\/paramagnetism_11.html<\/span><\/a><\/li>\n
  4. http:\/\/images.flatworldknowledge.com\/averillfwk\/averillfwk-fig09_027.jpg<\/span><\/a><\/li>\n
  5. Chapter 3: Electrons in molecules: diatomics — Chem210. http:\/\/www.forgottenplanet.com\/studyguide\/chem210\/chem210_ch3.html<\/span><\/li>\n<\/ol>\n<\/div>","protected":false},"excerpt":{"rendered":"

    \u6c27\u6c23\u4e4b\u5206\u5b50\u8ecc\u57df\u53ca\u4e09\u91cd\u614b\u7684\u7279\u6027\uff08\u4e0b\uff09The properties of oxygen\u2019s molecular o…<\/p>\n","protected":false},"author":50,"featured_media":0,"comment_status":"open","ping_status":"open","sticky":false,"template":"","format":"standard","meta":{"footnotes":""},"categories":[108,55,54],"tags":[9804,9167,9805,7335,9803,3629],"class_list":["post-69575","post","type-post","status-publish","format-standard","hentry","category-chemistry00","category-chemistry02-01","category-chemistry02","tag-linear-combination-of-atomic-orbitals","tag-molecular-orbital","tag-paramagnetic-property","tag-7335","tag-9803","tag-3629","loop-entry","cat-108","cat-55","cat-54","no-thumbnail"],"views":9109,"_links":{"self":[{"href":"http:\/\/localhost\/wp-json\/wp\/v2\/posts\/69575","targetHints":{"allow":["GET"]}}],"collection":[{"href":"http:\/\/localhost\/wp-json\/wp\/v2\/posts"}],"about":[{"href":"http:\/\/localhost\/wp-json\/wp\/v2\/types\/post"}],"author":[{"embeddable":true,"href":"http:\/\/localhost\/wp-json\/wp\/v2\/users\/50"}],"replies":[{"embeddable":true,"href":"http:\/\/localhost\/wp-json\/wp\/v2\/comments?post=69575"}],"version-history":[{"count":1,"href":"http:\/\/localhost\/wp-json\/wp\/v2\/posts\/69575\/revisions"}],"predecessor-version":[{"id":86112,"href":"http:\/\/localhost\/wp-json\/wp\/v2\/posts\/69575\/revisions\/86112"}],"wp:attachment":[{"href":"http:\/\/localhost\/wp-json\/wp\/v2\/media?parent=69575"}],"wp:term":[{"taxonomy":"category","embeddable":true,"href":"http:\/\/localhost\/wp-json\/wp\/v2\/categories?post=69575"},{"taxonomy":"post_tag","embeddable":true,"href":"http:\/\/localhost\/wp-json\/wp\/v2\/tags?post=69575"}],"curies":[{"name":"wp","href":"https:\/\/api.w.org\/{rel}","templated":true}]}}