An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices

Sarkar, R. S. ORCID: https://orcid.org/0000-0003-4173-4679, Biswas, A. ORCID: https://orcid.org/0000-0002-4680-4261, Ray, P. P. ORCID: https://orcid.org/0000-0003-4616-2577, Gomila, R. M., Drew, M. G. B., Banerjee, S. ORCID: https://orcid.org/0000-0003-0888-5870, Frontera, A. ORCID: https://orcid.org/0000-0001-7840-2139 and Chattopadhyay, S. ORCID: https://orcid.org/0000-0001-7772-9009 (2023) An insight into the non-covalent interactions in the solid state structures of dinuclear cobalt(ii) complexes with N,O-donor ligands: application of the complexes in the fabrication of Schottky devices. CrystEngComm, 25 (6). pp. 1006-1017. ISSN 1466-8033 doi: 10.1039/d2ce01282k

Abstract/Summary

Two new dinuclear cobalt(II) complexes, [(H2O)CoIIL1(μ-O2CR1)CoII(NCS)] (1) and [(DMSO)CoIIL2(μ-O2CR2)CoII(NCS)] (2) (H2L1 = (2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(6-methoxyphenol), H2L2 = (2,2-dimethyl-1,3-propanediyl)bis(iminomethylene)bis(6-ethoxyphenol), R1CO2H = 3-methyl-4-nitrobenzoic acid, and R2CO2H = 4-methyl-3-nitrobenzoic acid), were synthesized using multidentate N,O-donor ligands with two pockets. Each complex was characterized using single crystal X-ray diffraction and spectral analysis. The noncovalent interactions were analyzed using density functional theory (DFT) calculations. In addition, the optical properties of the complexes were studied with a focus on the band gaps. Both complexes were utilized for the fabrication of semiconducting Schottky devices.