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Hydrogen Bonds in Bis(1H-benzimidazole-κN3)cadmium(II) Dibenzoate: Hirshfeld Surface Analysis and AIM Perspective

Jia-Jun Wang, Li-Nan Dun, Bao-Sheng Zhang, Zhong-Hui Wang, He Wang, Chuan-Bi Li, Wei Liang

Abstract


The coordination complex bis(1H-benzimidazole-κN3)cadmium(II) dibenzoate has been synthesized and characterized by single crystal diffraction analysis. Cadmium center is six coordinated and formed a distorted octahedron coordinated geometry. The Hirshfeld analysis shows that in the dnorm-surface of the compound, there are dark red spots near the hydrogen-bonds acceptor and donor atoms, while intermolecular interactions result in faint-red spots. The AIM analysis was performed, there exist a BCP in each N(C)–H∙∙∙O hydrogen bond, the bond paths also can be seen, the |V(b)|/G(b) < 1 and the H(b) > 0, the interaction is indicative of being a closed shell. The TG results are consistent with the X-ray diffraction structure


Keywords


Cd Complex; Crystal Structure; IR; TG; Hirshfeld Surface Analysis; AIM Analysis

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DOI: http://dx.doi.org/10.17344/acsi.2020.6438

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Copyright (c) 2020 Jia-Jun Wang, Li-Nan Dun, Bao-Sheng Zhang, Zhong-Hui Wang, He Wang, Chuan-Bi Li, Wei Liang

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