Issue 60, 2019

Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight

Abstract

A dinuclear vanadium(V) complex, (μ-O)2[V(O)(L)]2, [where HL = 2-methoxy-6-((2-(2-hydroxyethylamino)ethylimino)methyl)phenol] has been synthesized and characterized by spectral and elemental analysis. A single crystal X-ray diffraction study confirms it structure. Two different conformations, stabilized via either intra- or inter-dinuclear hydrogen bonding interactions, co-exist in the solid-state structure. The energies of these intra- or inter-dinuclear hydrogen bonding interactions have been estimated by Density functional theory (DFT) calculations. A ‘Non-covalent interaction’ (NCI) plot has also been used to characterize these interactions.

Graphical abstract: Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(v) complex with a pendant Schiff base: theoretical insight

Supplementary files

Article information

Article type
Paper
Submitted
02 Sep 2019
Accepted
17 Sep 2019
First published
06 Nov 2019
This article is Open Access
Creative Commons BY-NC license

RSC Adv., 2019,9, 35165-35175

Stabilization of two conformers via intra- or inter-molecular hydrogen bonds in a dinuclear vanadium(V) complex with a pendant Schiff base: theoretical insight

S. Thakur, M. G. B. Drew, A. Franconetti, A. Frontera and S. Chattopadhyay, RSC Adv., 2019, 9, 35165 DOI: 10.1039/C9RA07006K

This article is licensed under a Creative Commons Attribution-NonCommercial 3.0 Unported Licence. You can use material from this article in other publications, without requesting further permission from the RSC, provided that the correct acknowledgement is given and it is not used for commercial purposes.

To request permission to reproduce material from this article in a commercial publication, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party commercial publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.

Social activity

Spotlight

Advertisements