4.0 Article Proceedings Paper

Theoretical study of the bonding in [(C5Me5)2Sm]2[μ-η2η:η2X2](X = Bi, N and NH)

期刊

JOURNAL OF MOLECULAR STRUCTURE-THEOCHEM
卷 709, 期 1-3, 页码 109-115

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ELSEVIER
DOI: 10.1016/j.theochem.2004.06.025

关键词

electronic structure; organometallic complexes; frontier molecular orbital

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The electronic and geometrical structures Of [(C5Me5)(2)Sm](2)[mu-eta(2) :eta(2)X(2)] (X = Bi, N and NH), in which the entity X-2 is solely bonded to Samarium atom, are analyzed and compared by use of molecular orbital calculations. (C) 2004 Elsevier B.V. All rights reserved.

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