Agostic Hydrogen Bond between Cu(I and II) and [2-Hydroxy-1(S)-Methyl]-Containing N-Methylglycine

Kun Yuan

doi:10.4028/www.scientific.net/AMM.473.57

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HomeApplied Mechanics and MaterialsApplied Mechanics and Materials Vol. 473Agostic Hydrogen Bond between Cu(I and II) and...

Agostic Hydrogen Bond between Cu(I and II) and [2-Hydroxy-1(S)-Methyl]-Containing N-Methylglycine

Abstract:

The geometric structures of the agostic hydrogen bond formed between Cu⁺, Cu²⁺ and [2-hydroxy-1(S)-methy-containing N-methylglycine anion ligand were investigated by density functional B3LYP(Becke, three-parameter, Lee-Yang-Parr)/6-311G** theoretical method. The calculation results showed that the C-HCu agnostic bond formed when Cu⁺ coordination binding to only one [2-hydroxy-1(S)-methy-containing N-methylglycine anion. Natural bond orbital and atoms in molecules theories analysis show that the C-HCu agnostic bond intensity and electronic behavior are quite different from these of hydrogen bond structures.

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Periodical:

Applied Mechanics and Materials (Volume 473)

Pages:

57-60

DOI:

https://doi.org/10.4028/www.scientific.net/AMM.473.57

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Online since:

December 2013

Authors:

Kun Yuan*

Keywords:

Agnostic Bond, Anion Ligand, Geometric Structures

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