Crystal Chemistry, Optic and Magnetic Characterizations of a New Copper Based Material Templated by Hexahydrodiazepine

Authors

Mansoura Bourwina, Université de Sfax
Rawia Msalmi, Université de Sfax
Sandra Walha, Université de Sfax
Mark M. Turnbull, Clark UniversityFollow
Thierry Roisnel, Université Rennes
Ahlem Guesmi, Imam Mohammad Ibn Saud Islamic University
Ammar Houas, University of Gabes
Naoufel Ben Hamadi, Imam Mohammad Ibn Saud Islamic University
Houcine Naïli, Université de Sfax

Document Type

Article

Abstract

Crystals of the new organic-inorganic material (DAP-H2)[CuBr₄] (1); (DAP = hexahydrodiazepine (C₅H₁₄N₂)) were successfully synthesized by slow evaporation and characterized by single-crystal X-ray diffraction, infrared spectroscopy, thermal analysis, UV-Vis-NIR diffuse reflectance spectroscopy, and magnetic measurements. X-ray investigation demonstrates that 1 crystallizes in the monoclinic space group C2/c. The supramolecular crystal structure of 1 is guided by several types of hydrogen bonding which connect anions and cations together into a three-dimensional network. The optical band gap was determined by diffuse reflectance spectroscopy to be 1.78 eV for a direct allowed transition, implying that it is suitable for light harvesting in solar cells. The vibrational properties of this compound were studied by infrared spectroscopy, while its thermal stability was established by simultaneous TGA-DTA from ambient temperature to 600 °C. The study of the photoresponse behavior of an optoelectronic device, based on (C₅H₁₄N₂)[CuBr₄], has shown a power conversion efficiency (PCE) of 0.0017%, with J_sc = 0.0208 mA/cm², V_oc = 313.7 mV, and FF = 25.46. Temperature dependent magnetic susceptibility measurements in the temperature range 1.8-310 K reveal weak antiferromagnetic interactions via the two-halide superexchange pathway [2J/k_B = −8.4(3) K]. © 2023 The Authors. Published by American Chemical Society.

This article contains a supplementary file of supporting data.

Publication Title

ACS Omega

Publication Date

5-2-2023

Volume

8

Issue

17

First Page

15075

Last Page

15082

ISSN

2470-1343

DOI

10.1021/acsomega.2c08035

Repository Citation

Bourwina, Mansoura; Msalmi, Rawia; Walha, Sandra; Turnbull, Mark M.; Roisnel, Thierry; Guesmi, Ahlem; Houas, Ammar; Ben Hamadi, Naoufel; and Naïli, Houcine, "Crystal Chemistry, Optic and Magnetic Characterizations of a New Copper Based Material Templated by Hexahydrodiazepine" (2023). Chemistry. 12.
https://commons.clarku.edu/chemistry/12

Creative Commons License

This work is licensed under a Creative Commons Attribution-NonCommercial-No Derivative Works 4.0 International License.