| Article ID | Journal | Published Year | Pages | File Type |
|---|---|---|---|---|
| 1411464 | Journal of Molecular Structure | 2009 | 4 Pages |
Abstract
The polarizability and first hyperpolarizability value of the F–H⋯NH3 hydrogen-bonded complex has been calculated using the ab initio method with different basis sets. In addition, the first hyperpolarizability values of the hydrogen-bonded complexes formed by nitrosubstituted phenols with trimethylamine have been calculated using PM3 and ab initio (STO-3G) methods. It has been shown that enhancement of the first hyperpolarizability (Δβ) of the complex arises from the hydrogen bond interaction between the phenol derivative and trimethylamine.
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Authors
Zdzisław Latajka, Grzegorz Gajewski, Austin J. Barnes, Dongfeng Xue, Henryk Ratajczak,