title: Crystal structure, solvothermal synthesis, thermogravimetric studies and DFT calculations of a five-coordinate cobalt(II) compound based on theN,N-bis-(2-hy-droxy-eth-yl)glycine anion.
abstract: The reaction of CoCl2·6H2O,N,N-bis-(2-hy-droxy-eth-yl)glycine and tri-ethyl-amine (Et3N) in ethanol solution under solvothermal conditions produced crystals of [N,N-bis-(2-hy-droxy-eth-yl)glycinato]chloridocobalt(II), [Co(C6H12NO4)Cl]. The CoIIion is coordinated in a slightly distorted trigonal-bipyramidal environment which is defined by three O atoms occupying the equatorial plane and the N and Cl atoms in the apical sites. In the crystal, two types of O-H⋯O hydrogen bonds connect the mol-ecules, forming a two-dimensional network parallel to (001). The mol-ecular structure of the title compound confirms the findings of FTIR, elemental analysis, ESI-MS analysis and TG analysis. By using the density functional theory (DFT) (B3LYP) method with 6-31G(d) basis set, the molecular structure has been calculated and optimized.
authors.affiliation: School of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, People's Republic of China; Guangxi Experiment Centre of Science and Technology, Guangxi University, Nanning, 530004, People's Republic of China.
authors.forename: Yanling
authors.initials: Y
authors.lastname: Zhou
authors.affiliation: School of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, People's Republic of China.
authors.forename: Xianrong
authors.initials: X
authors.lastname: Liu
authors.affiliation: School of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, People's Republic of China.
authors.forename: Qijun
authors.initials: Q
authors.lastname: Wang
authors.affiliation: School of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, People's Republic of China.
authors.forename: Lisheng
authors.initials: L
authors.lastname: Wang
authors.affiliation: School of Chemistry and Chemical Engineering, Guangxi University, Nanning, 530004, People's Republic of China.
authors.forename: Baoling
authors.initials: B
authors.lastname: Song
keywords: DFT; ESI–MS; Five-coordinate transition metal; crystal structure; mononuclear; solvothermal synthesis