naa a22 4500 510734421 CHVBK 20180411083004.0 cr unu---uuuuu 180411e20130701xx s 000 0 eng 10.1007/s12039-013-0457-z doi (NATIONALLICENCE)springer-10.1007/s12039-013-0457-z Synthesis, molecular and crystalline architectures, and properties of a mononuclear complex [Co II (benzidine) 2 (NCS) 2 (OH 2 ) 2 ] [Elektronische Daten] [SUBHASISH KUNDU, SUBHASIS ROY, KISHALAY BHAR, RAJARSHI GHOSH, CHIA-HER LIN, JOAN RIBAS, BARINDRA GHOSH] One mononuclear cobalt(II) compound of the type [Co(bnzd)2(NCS)2(OH2)2] (1) (bnzd = benzidine) has been isolated through a single-pot reaction of the molecular building components in MeOH-H2O solvent mixture at room temperature and characterized by physico-chemical and spectroscopic methods. The crystal structure of complex 1 has an octahedral geometry with trans, trans, trans orientations in the order (Na,Na), (Nt,Nt), (Ow,Ow) [Na = N(amine), Nt = N(thiocyanate) and Ow = O(water)]. In crystalline state, individual units of 1 are associated by weak cooperative O-H...N, O-H...S and N-H...S hydrogen bonds resulting in a 3D network structure. The compound is redox active and shows luminescence in MeOH solution. Thermal decomposition pattern of 1 reveals the presence of two coordinated water molecules. Variable-temperature magnetic susceptibility measurement shows significant orbital contribution and numerical matrix diagonalization method gives the best fit parameters: α = A*k = 1.43; λ = −130cm − 1; Δ = − 864cm − 1; TIP= 0.000975; R = 1.19 × 10 − 4. Graphical Abstract Mononuclear compound [Co(benzidine)2(NCS)2(OH2)2] (1) was isolated and characterized. Cobalt(II) center adopts an octahedral geometry and individual units of 1 are associated by weak O-H N/S and N-H S hydrogen bonds resulting in a 3D network structure. Complex 1 is electroactive and shows luminescence property. Variable-temperature magnetic property shows significant orbital contribution. Indian Academy of Sciences, 2013 Cobalt(II) nationallicence thiocyanate nationallicence benzidine nationallicence X-ray structure nationallicence magnetism nationallicence KUNDU SUBHASISH Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut ROY SUBHASIS Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut BHAR KISHALAY Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut GHOSH RAJARSHI Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut LIN CHIA-HER Depatrment of Chemistry, Chung Yuan Christian University, Chung Li, 32023, Taiwan, ROC aut RIBAS JOAN Departament de Química Inorgánica, Universitat de Barcelona, Diagonal, 647; 08028, Barcelona, Spain aut GHOSH BARINDRA Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut Journal of Chemical Sciences Springer India 125/4(2013-07-01), 723-730 0974-3626 125:4<723 2013 125 12039 https://doi.org/10.1007/s12039-013-0457-z text/html Onlinezugriff via DOI 1 research-article jats NATIONALLICENCE 856 40 https://doi.org/10.1007/s12039-013-0457-z text/html Onlinezugriff via DOI NATIONALLICENCE 700 1- KUNDU SUBHASISH Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut NATIONALLICENCE 700 1- ROY SUBHASIS Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut NATIONALLICENCE 700 1- BHAR KISHALAY Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut NATIONALLICENCE 700 1- GHOSH RAJARSHI Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut NATIONALLICENCE 700 1- LIN CHIA-HER Depatrment of Chemistry, Chung Yuan Christian University, Chung Li, 32023, Taiwan, ROC aut NATIONALLICENCE 700 1- RIBAS JOAN Departament de Química Inorgánica, Universitat de Barcelona, Diagonal, 647; 08028, Barcelona, Spain aut NATIONALLICENCE 700 1- GHOSH BARINDRA Department of Chemistry, The University of Burdwan, 713 104, Burdwan, India aut NATIONALLICENCE 773 0- Journal of Chemical Sciences Springer India 125/4(2013-07-01), 723-730 0974-3626 125:4<723 2013 125 12039 Metadata rights reserved Springer special CC-BY-NC licence nationallicence BK010053 XK010053 XK010000 NATIONALLICENCE NATIONALLICENCE NL-springer