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Reassessment of the electronic absorption spectra of Cr(η6-C6H6)2, Cr(CO)6 and Cr(η6-C6H6)(CO)3

✍ Scribed by Gottfried T.W. Wittmann; Gert N. Krynauw; Simon Lotz; Werner Ludwig

Publisher
Elsevier Science
Year
1985
Tongue
English
Weight
261 KB
Volume
293
Category
Article
ISSN
0022-328X

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The electronic effects of the chromium tricarbonyl fragment on the structure of the benzene ring of (η 6 -C 6 H 6 )Cr(CO) 3 is investigated theoretically using ab initio molecular orbital calculations with electron correlation included by using both Møller-Plesset second-order calculations and densi