{"title":"Approximate molecular orbital calculations on metallo-organic complexes","authors":"I. H. Hillier, R. M. Canadine","doi":"10.1039/DF9694700027","DOIUrl":null,"url":null,"abstract":"The results of approximate molecular orbital calculations on the metallo-organic complexes, palladium bis π-allyl, ferrocene, and dibenzene chromium are presented. The calculations include electron interaction and all valence electrons are considered. The bonding involves mainly the metal orbitals and the π orbitals of the hydrocarbon ligand. The results are compared with those of other workers and with experimental data.","PeriodicalId":11262,"journal":{"name":"Discussions of The Faraday Society","volume":"5 1","pages":"27-36"},"PeriodicalIF":0.0000,"publicationDate":"1969-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"29","resultStr":null,"platform":"Semanticscholar","paperid":null,"PeriodicalName":"Discussions of The Faraday Society","FirstCategoryId":"1085","ListUrlMain":"https://doi.org/10.1039/DF9694700027","RegionNum":0,"RegionCategory":null,"ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"","JCRName":"","Score":null,"Total":0}
引用次数: 29
Abstract
The results of approximate molecular orbital calculations on the metallo-organic complexes, palladium bis π-allyl, ferrocene, and dibenzene chromium are presented. The calculations include electron interaction and all valence electrons are considered. The bonding involves mainly the metal orbitals and the π orbitals of the hydrocarbon ligand. The results are compared with those of other workers and with experimental data.
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