Related Experiment Video
Updated: Jan 20, 2026

Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
Published on: November 28, 2017
Crystal structures and Hirshfeld surface analysis of transition-metal complexes of 1,3-azolecarboxylic acids
Natthaya Meundaeng1, Timothy John Prior2, Apinpus Rujiwatra3
1Department of Chemistry, Faculty of Science, King Mongkut's Institute of Technology Ladkrabang, Bangkok, 10520, Thailand.
Abstract:
The crystal structures of five new transition-metal complexes synthesized using thiazole-2-carboxylic acid (2-Htza), imidazole-2-carboxylic acid (2-H2ima) or 1,3-oxazole-4-carboxylic acid (4-Hoxa), namely diaquabis(thiazole-2-carboxylato-κ2N,O)cobalt(II), [Co(C4H2NO2S)2(H2O)2], 1, diaquabis(thiazole-2-carboxylato-κ2N,O)nickel(II), [Ni(C4H2NO2S)2(H2O)2], 2, diaquabis(thiazole-2-carboxylato-κ2N,O)cadmium(II), [Cd(C4H2NO2S)2(H2O)2], 3, diaquabis(1H-imidazole-2-carboxylato-κ2N3,O)cobalt(II), [Co(C4H2N2O2)2(H2O)2], 4, and diaquabis(1,3-oxazole-4-carboxylato-κ2N,O4)cobalt(II), [Co(C4H2NO3)2(H2O)2], 5, are reported. The influence of the nature of the heteroatom and the position of the carboxyl group in relation to the heteroatom on the self-assembly process are discussed based upon Hirshfeld surface analysis and used to explain the observed differences in the single-crystal structures and the supramolecular frameworks and topologies of complexes 1-5.
Related Concept Videos
08:50Preparation of Large-area Vertical 2D Crystal Hetero-structures Through the Sulfurization of Transition Metal Films for Device Fabrication
Crystal Field Theory - Octahedral Complexes
To explain the observed behavior of transition metal complexes (such as colors), a model involving electrostatic interactions between the electrons from the ligands and the electrons in the unhybridized d orbitals of the central metal atom has been developed. This electrostatic model is crystal field theory (CFT). It helps to understand, interpret, and predict the colors, magnetic behavior, and some structures of coordination compounds of transition metals.
CFT focuses on...
Properties of Transition Metals
08:55Methods of Ex Situ and In Situ Investigations of Structural Transformations: The Case of Crystallization of Metallic Glasses
14:44Structure and Coordination Determination of Peptide-metal Complexes Using 1D and 2D 1H NMR
Crystal Field Theory - Tetrahedral and Square Planar Complexes
Crystal field theory (CFT) is applicable to molecules in geometries other than octahedral. In octahedral complexes, the lobes of the dx2−y2 and dz2 orbitals point directly at the ligands. For tetrahedral complexes, the d orbitals remain in place, but with only four ligands located between the axes. None of the orbitals points directly at the tetrahedral ligands. However, the dx2−y2 and dz2 orbitals (along the Cartesian axes) overlap with the ligands less than the dxy,...
