乐胖代购免代理版

{"status":"ok","message-type":"work","message-version":"1.0.0","message":{"indexed":{"date-parts":[[2023,10,16]],"date-time":"2023-10-16T05:56:14Z","timestamp":1697435774169},"reference-count":52,"publisher":"Wiley","issue":"10","license":[{"start":{"date-parts":[[2008,2,21]],"date-time":"2008-02-21T00:00:00Z","timestamp":1203552000000},"content-version":"vor","delay-in-days":0,"URL":"http:\/\/onlinelibrary.wiley.com\/termsAndConditions#vor"}],"content-domain":{"domain":[],"crossmark-restriction":false},"short-container-title":["J Comput Chem"],"published-print":{"date-parts":[[2008,7,30]]},"abstract":"Abstract<\/jats:title>The structures and formation mechanisms of the important intermediate phenyl\u2010coinage metal complexes [C6<\/jats:sub>H5<\/jats:sub>Mm<\/jats:italic><\/jats:sub>]\u2212<\/jats:sup> (M\uf8feAg, Au, m<\/jats:italic> = 1\u20133) are investigated at B3LYP\/\/6\u2010311G(d, p)\/Lanl2dz level using Gaussian 03 program. The adiabatic electron affinity and vertical dissociation energy of [Mm<\/jats:italic><\/jats:sub>]\u2212<\/jats:sup> and [C6<\/jats:sub>H5<\/jats:sub>Mm<\/jats:italic><\/jats:sub>]\u2212<\/jats:sup> are calculated, which are excellently coincident with the experimental determination. The C6<\/jats:sub>H5<\/jats:sub> group bonds on metal clusters through M\uf8ffC \u03c3 bond in the complex [C6<\/jats:sub>H5<\/jats:sub>Mm<\/jats:italic><\/jats:sub>]\u2212<\/jats:sup>. The complexes [C6<\/jats:sub>H5<\/jats:sub>Mm<\/jats:italic><\/jats:sub>]\u2212<\/jats:sup> (M\uf8feAg, Au; m<\/jats:italic> = 2\u20133) are generated through a stepwise reaction. The first step is a direct insertion reaction between [Mm<\/jats:italic><\/jats:sub>]\u2212<\/jats:sup> (M\uf8feAg, Au, m<\/jats:italic> = 1\u20133) and C6<\/jats:sub>H6,<\/jats:sub> which leads to the generation of intermediate [C6<\/jats:sub>H5<\/jats:sub>Mm<\/jats:italic><\/jats:sub>H]\u2212<\/jats:sup> (m<\/jats:italic> = 1\u20133) with the activation and cleavage of C\uf8ffH bond. The second step is the neutral metal atom abstracting the H atom to yield the product [C6<\/jats:sub>H5<\/jats:sub>Mm<\/jats:italic><\/jats:sub>]\u2212<\/jats:sup>. \u00a9 2008 Wiley Periodicals, Inc. J Comput Chem 2008<\/jats:p>","DOI":"10.1002\/jcc.20926","type":"journal-article","created":{"date-parts":[[2008,2,21]],"date-time":"2008-02-21T15:19:49Z","timestamp":1203607189000},"page":"1667-1674","source":"Crossref","is-referenced-by-count":9,"title":["Theoretical study on the structure and formation mechanism of [C_{6<\/sub>H_{5<\/sub>M_{m<\/i><\/sub>]^{\u2212<\/sup> (M\uf8feAg, Au; m<\/i> = 1\u20133)"],"prefix":"10.1002","volume":"29","author":[{"given":"Xiao\u2010Jing","family":"Liu","sequence":"first","affiliation":[]},{"given":"Chuan\u2010Lu","family":"Yang","sequence":"additional","affiliation":[]},{"given":"Xiang","family":"Zhang","sequence":"additional","affiliation":[]},{"given":"Ke\u2010Li","family":"Han","sequence":"additional","affiliation":[]},{"given":"Zi\u2010Chao","family":"Tang","sequence":"additional","affiliation":[]}],"member":"311","published-online":{"date-parts":[[2008,5,27]]},"reference":[{"key":"e_1_2_6_2_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00013a001"},{"key":"e_1_2_6_3_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100202a007"},{"key":"e_1_2_6_4_2","doi-asserted-by":"publisher","DOI":"10.1016\/0168-1176(93)03872-J"},{"key":"e_1_2_6_5_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20394"},{"key":"e_1_2_6_6_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp012069e"},{"key":"e_1_2_6_7_2","doi-asserted-by":"publisher","DOI":"10.1038\/372346a0"},{"key":"e_1_2_6_8_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20225"},{"key":"e_1_2_6_9_2","doi-asserted-by":"publisher","DOI":"10.1039\/a805753b"},{"key":"e_1_2_6_10_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja045659"},{"key":"e_1_2_6_11_2","doi-asserted-by":"publisher","DOI":"10.1021\/cr60232a002"},{"key":"e_1_2_6_12_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100010a013"},{"key":"e_1_2_6_13_2","doi-asserted-by":"publisher","DOI":"10.1021\/j100044a008"},{"key":"e_1_2_6_14_2","doi-asserted-by":"publisher","DOI":"10.1021\/om9807349"},{"key":"e_1_2_6_15_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp0351369"},{"key":"e_1_2_6_16_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1477924"},{"key":"e_1_2_6_17_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1839864"},{"key":"e_1_2_6_18_2","doi-asserted-by":"publisher","DOI":"10.1016\/j.cplett.2004.08.149"},{"key":"e_1_2_6_19_2","doi-asserted-by":"publisher","DOI":"10.1002\/(SICI)1096-987X(199910)20:13<1343::AID-JCC2>3.0.CO;2-U"},{"key":"e_1_2_6_20_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja0035452"},{"key":"e_1_2_6_21_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1499954"},{"key":"e_1_2_6_22_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.1738632"},{"key":"e_1_2_6_23_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp025970i"},{"key":"e_1_2_6_24_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja027926m"},{"key":"e_1_2_6_25_2","doi-asserted-by":"publisher","DOI":"10.1002\/1096-987X(20001115)21:14<1221::AID-JCC1>3.0.CO;2-#"},{"key":"e_1_2_6_26_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja0175439"},{"key":"e_1_2_6_27_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja0293406"},{"key":"e_1_2_6_28_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp054068i"},{"key":"e_1_2_6_29_2","first-page":"32","volume":"6","author":"Xing X. P.","year":"2003","journal-title":"Phys Chem Commun"},{"key":"e_1_2_6_30_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp066750y"},{"key":"e_1_2_6_31_2","volume-title":"Gaussian 03, Revision C.02 ed.","author":"Frisch M. J.","year":"2004"},{"key":"e_1_2_6_32_2","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevB.37.785"},{"key":"e_1_2_6_32_3","doi-asserted-by":"publisher","DOI":"10.1063\/1.464304"},{"key":"e_1_2_6_32_4","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevA.38.3098"},{"key":"e_1_2_6_33_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.448800"},{"key":"e_1_2_6_34_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10413"},{"key":"e_1_2_6_35_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp0101918"},{"key":"e_1_2_6_36_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp9935992"},{"key":"e_1_2_6_37_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10037"},{"key":"e_1_2_6_38_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.20329"},{"key":"e_1_2_6_39_2","doi-asserted-by":"publisher","DOI":"10.1002\/jcc.10132"},{"key":"e_1_2_6_40_2","doi-asserted-by":"publisher","DOI":"10.1021\/ja00204a001"},{"key":"e_1_2_6_40_3","doi-asserted-by":"publisher","DOI":"10.1103\/PhysRevLett.62.1469"},{"key":"e_1_2_6_41_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp994405l"},{"key":"e_1_2_6_42_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.454272"},{"key":"e_1_2_6_43_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.456999"},{"key":"e_1_2_6_44_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.452170"},{"key":"e_1_2_6_45_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.459475"},{"key":"e_1_2_6_46_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.456862"},{"key":"e_1_2_6_46_3","doi-asserted-by":"publisher","DOI":"10.1063\/1.469356"},{"key":"e_1_2_6_47_2","doi-asserted-by":"publisher","DOI":"10.1063\/1.466964"},{"key":"e_1_2_6_48_2","doi-asserted-by":"publisher","DOI":"10.1021\/jp035437i"},{"key":"e_1_2_6_49_2","volume-title":"ADF2004","author":"Baerends E. J.","year":"2004"}],"container-title":["Journal of Computational Chemistry"],"original-title":[],"language":"en","link":[{"URL":"https:\/\/api.wiley.com\/onlinelibrary\/tdm\/v1\/articles\/10.1002%2Fjcc.20926","content-type":"unspecified","content-version":"vor","intended-application":"text-mining"},{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/pdf\/10.1002\/jcc.20926","content-type":"unspecified","content-version":"vor","intended-application":"similarity-checking"}],"deposited":{"date-parts":[[2023,10,10]],"date-time":"2023-10-10T09:33:03Z","timestamp":1696930383000},"score":1,"resource":{"primary":{"URL":"https:\/\/onlinelibrary.wiley.com\/doi\/10.1002\/jcc.20926"}},"subtitle":[],"short-title":[],"issued":{"date-parts":[[2008,5,27]]},"references-count":52,"journal-issue":{"issue":"10","published-print":{"date-parts":[[2008,7,30]]}},"alternative-id":["10.1002\/jcc.20926"],"URL":"https:\/\/doi.org\/10.1002\/jcc.20926","archive":["Portico"],"relation":{},"ISSN":["0192-8651","1096-987X"],"issn-type":[{"value":"0192-8651","type":"print"},{"value":"1096-987X","type":"electronic"}],"subject":[],"published":{"date-parts":[[2008,5,27]]}}}}}}}