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A study on structure and property of two complexes involving platinum(II), eugenol and 8‐hydroxyquinoline derivatives
Author(s) -
Mai Truong Thi Cam,
Tu Phan Dang Cam,
Chi Nguyen Thi Thanh,
Trung Nguyen Tien
Publication year - 2018
Publication title -
vietnam journal of chemistry
Language(s) - English
Resource type - Journals
eISSN - 2572-8288
pISSN - 0866-7144
DOI - 10.1002/vjch.201800028
Subject(s) - 8 hydroxyquinoline , chemistry , eugenol , computational chemistry , gibbs free energy , organic chemistry , thermodynamics , physics
Stable structures of complexes formed by the interaction of [PtCl 3 (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.