| Autor: |
Mai, Truong Thi Cam, Tu, Phan Dang Cam, Chi, Nguyen Thi Thanh, Trung, Nguyen Tien |
| Zdroj: |
Vietnam Journal of Chemistry; August 2018, Vol. 56 Issue: 4 p445-451, 7p |
| Abstrakt: |
Stable structures of complexes formed by the interaction of [PtCl3(Eug)]‐with either 5,7‐dichloro‐8‐hydroxyquinoline or 5‐nitro‐8‐hydroxyquinoline are determined and compared to the experimental results. Interaction energies and variation of Gibbs free energies, AIM and MEP analysis are carried out at B3LYP/LanL2DZ level of theory to explore characteristics of the complexes and the Pt∙∙∙X (X = N, O) contacts. The obtained results show that charge‐transfer interaction plays a significant role in stabilizing of the examined complexes. It is remarkable that the calculated IR spectra of the examined complexes are well matched with those of the experimental results. |
| Databáze: |
Supplemental Index |
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