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Structural and photophysical characterization of mono- and binuclear Cu(i) complexes based on carbohydrazones: a combined experimental and computational study

journal contribution
posted on 2023-06-09, 08:51 authored by Khodayar Gholivand, Kaveh Farshadfer, S Mark Roe, Akram Gholami, Mehdi D Esrafili
Pyridinyl carbohydrazone ligands with different positions between functional groups of –NNHC(O)– and Npy (ortho-, meta- and para-) have been applied for the synthesis of cuprous halide complexes. X-ray crystallography reveals that the ortho analogous ligand, Lo, functions in a chelating mode, adopting a mononuclear structure in complex Co, [CuClLoPPh3], while the meta and para analogs, Lm and Lp, act as ambidentate ligands, coordinating through the Npy atom in halogen-bridged binuclear complexes [Cu(µ- X)LPPh3]2 (X = Cl, Br, I and L = Lm, Lp). The influence of non-covalent intermolecular interactions on the assembly of the final structures has been discussed by geometrical and Hirshfeld analyses. Moreover, the photophysical properties of the complexes have been explored, both experimentally and theoretically. The influence of ligand structure and halide variations on the structural and photophysical aspects of the complexes has been considered in this study.

History

Publication status

  • Published

File Version

  • Published version

Journal

CrystEngComm

ISSN

1466-8033

Publisher

Royal Society of Chemistry

Issue

16

Volume

18

Page range

2873-2884

Department affiliated with

  • Biochemistry Publications

Full text available

  • No

Peer reviewed?

  • Yes

Legacy Posted Date

2017-11-15

First Compliant Deposit (FCD) Date

2017-11-15

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