Title of article :
The ethyl cation as proton donor for dihydrogen bonds in the image (m = 1 or 2 and n = 1 or 2) complex: A theoretical study
Author/Authors :
Boaz G. Oliveira، نويسنده , , M?rio L.A.A. Vasconcellos، نويسنده ,
Issue Information :
روزنامه با شماره پیاپی سال 2009
Pages :
3
From page :
1142
To page :
1144
Abstract :
BHandHLYP/6-31G(d,p) calculations and molecular integrations of the quantum theory of atoms in molecules (QTAIM) were applied to study a new class of dihydrogen-bonded complexes (image with m = 1 or 2 and n = 1 or 2) based on the assumption that earth alkaline hydride MgH2 can bind with the non-localized hydrogen H+δ of the ethyl cation image.
Keywords :
Hyperconjugation , Dihydrogen bonds , Ethyl cation , QTAIM
Journal title :
Inorganic Chemistry Communications
Serial Year :
2009
Journal title :
Inorganic Chemistry Communications
Record number :
1318295
Link To Document :
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