Prediction and characterization of a chalcogen–hydride interaction with metal hybrids as an electron donor in F2CS–HM and F2CSe–HM (M = Li, Na, BeH, MgH, MgCH3) complexes

A novel type of σ-hole bonding has been predicted and characterized in F(2)CS-HM and F(2)CSe-HM (M = Li, Na, BeH, MgH) complexes at the MP2/aug-cc-pVTZ level. This interaction, termed a chalcogen-hydride interaction, was analyzed in terms of geometric, energetic and spectroscopic features of the com...

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Bibliographic Details
Published in:Physical chemistry chemical physics : PCCP 2012-03, Vol.14 (9), p.3025-3030
Main Authors: Li, Qing-Zhong, Qi, Hui, Li, Ran, Liu, Xiao-Feng, Li, Wen-Zuo, Cheng, Jian-Bo
Format: Article
Language:English
Subjects:
Chemistry
Exact sciences and technology
General and physical chemistry
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