Succinato-bridged Cd(II)-nicotinylhydrazone 3D coordination polymer: structure, photoconductivity and computational studies

• Published in: Journal of coordination chemistry 2024-01, Vol.77 (1-2), p.142-154
• Main Authors: Shit, Manik, Karan, Arnab Kanti, Maity, Suvendu, Slawin, Alexandra M. Z., Manik, Nabin Baran, Dutta, Basudeb, Sinha, Chittaranjan
• Format: Article
• Language: English
• Subjects: 3D Cd(II) coordination polymer; carboxylate and pyridyl-hydrazone bridging; Clean energy; Coordination polymers; Crystallography; electrical conductivity; Energy gap; Hydrazones; Light irradiation; Molecular orbitals; Photoconductivity; Schottky barrier diode; Self-assembly; Single crystals; Succinic acid; Sustainable development
• ISSN: 0095-8972; 1029-0389
• DOI: 10.1080/00958972.2024.2303733

Strategies for clean energy are important components of the United Nation's Sustainable Development Goals (SDGs). To this end, we have studied the conductivity of a Cd(II)-based 3D coordination polymer, [Cd(succ)(pcih)(H 2 O)] n (1) (H 2 succ = succinic acid; pcih = pyridine-4-carboxaldehyde iso-nicotinoyl hydrazone). Compound 1 was structurally characterized by single-crystal X-ray diffraction. The bridging groups, succ 2 − and pcih, self-assembled via H-bonding and π∙∙∙π interactions. The optical band gap calculated from a Tauc's plot was determined to be 3.71 eV which is consistent with semiconducting behavior. The experimental barrier height, 0.71 eV (dark phase); 0.49 eV (light phase) and series resistance, 358.48 Ω (dark); 133.73 Ω (light), also support the photoinduced enhancement of conductivity. The non-ohmic relation, I α V 2 , showed an enhancement of conductivity by 2.5 times upon light irradiation [3.36 × 10 −6 S m −1 (dark) and 8.37 × 10 −6 S m −1 (light)]. DFT computations employing the crystallographic parameters of 1 indicated a HOMO/LUMO energy gap of 4.06 eV, within the range of semiconducting materials. The optical stability of 1 was examined by fluorescence measurements and lifetime data.