Article ID | Journal | Published Year | Pages | File Type |
---|---|---|---|---|
5394144 | Computational and Theoretical Chemistry | 2013 | 8 Pages |
Abstract
The structure, harmonic vibrational frequencies, energies and bonding of HXeCCHâ¯H2O and HXeCCHâ¯HF complexes have been investigated by ab initio calculation. HXeCCH tends to form Ï H-bond with the first H2O (or HF) molecule, while the vXeH in Ï H-bonded complexes shifts to blue although these Ï H-bonds are red-shifting ones, which is attribute to the hyper-conjugation effects in these complexes.
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Related Topics
Physical Sciences and Engineering
Chemistry
Physical and Theoretical Chemistry
Authors
Lingling Ma, Zhengguo Huang, Xiqian Niu, Tingting Shen, Lingfei Guo,