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Mulliken n.aσ and bπ.aσ complexes B…Cl2 in the gas phase: rules for predicting angular geometries and nature of the interaction

✍ Scribed by A.C. Legon

Publisher: Elsevier Science
Year: 1995
Tongue: English
Weight: 465 KB
Volume: 237
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(95)00309-r

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✦ Synopsis

Comparison of the angular geometries of a series of B... C12 complexes of the Mulliken n.a~r and b~r.atr type with those of the series B...HCI, where B = CO, HF, PH 3, H2S, C2H2, C2H 4 HCN, and NH3, reveals the two series to be isostructural for a given B. Rules for predicting the angular geometries of the B...HC1 apply to the B...CI 2 also. Discussions of the extent of electric charge redistribution within Cl 2 on formation of B... C12 and the strength of the interaction show why the rules apply. A shortened van der Waals distance r(B... C1) when modelling B... Cl 2 is proposed.

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