Bulletin of the Chemical Society of Japan
Online ISSN : 1348-0634
Print ISSN : 0009-2673
ISSN-L : 0009-2673
Theoretical and Physical
The Hydrogen Bond of the One-Dimensional Assembled Complex [Ni(2,2′-biimidazole)2]: The Effect of Transition Metals on the Hydrogen Bond
Hirotoshi MoriEisaku Miyoshi
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2004 Volume 77 Issue 4 Pages 687-690

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Abstract

The topologies of hydrogen-bond potential energy surfaces of one-dimensional assembled 2,2′-biimidazole (H2bim) and its deprotonated Ni complex ([NiII(Hbim)2]) were investigated by density functional theory calculations at the B3LYP/CEP-31G(d,p) level. It was revealed that the formation of coordination bonds between Hbim and Ni makes the N–H···N hydrogen bond between Hbim units linear and strong.

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© 2004 The Chemical Society of Japan
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