Topic
Tetrahedral molecular geometry
About: Tetrahedral molecular geometry is a research topic. Over the lifetime, 1795 publications have been published within this topic receiving 30706 citations.
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TL;DR: A new Zintl phase, Sr5In2Bi6, has been synthesized by solid-state reactions of the corresponding elements in a stoichiometric ratio in welded niobium tube at 750°C as mentioned in this paper.
8 citations
TL;DR: The results from spectroscopic data and crystal structure analysis showed that the acylthiourea ligands coordinated as monodentate S-donor mode as mentioned in this paper.
8 citations
TL;DR: The comparative analysis of the different x-ray, energy minimized, and auto solvated structures of Rusticyanin revealed the presence of five specific invariant bound water molecules (among the ~ 150 water molecules per monomer) in the crystals.
Abstract: The invariant water molecular interaction involving in the Rusticyanin of Thiobacillus ferrooxidans is thought to be important for its molecular complexation with other proteins at differential acidophilic situation. The comparative analysis of the different x-ray, energy minimized, and auto solvated structures of Rusticyanin revealed the presence of five specific invariant bound water molecules (among the approximately 150 water molecules per monomer) in the crystals. The five W 205, W 206, W 112, W 214, and W 221 water molecules (in Rusticyanin PDB code: 1RCY) were seem to be invariant in all the seven structures (PDB codes: 1RCY, 1A3Z, 1A8Z, 1E3O, 1GY1, 1GY2, 2CAL). Among the five conserved water molecules the W 221 (of 1 RCY or the equivalent water molecules in the other oxidized form of Rusticyanin structures) had endowed an interesting coordination potentiality to Cu(+2) ion during the energy minimization. The W 221 was observed to approach toward the tetrahedrally bonded Cu(+2) ion through the opposite (or trans) route of metal-bonded Met 148. This direct water molecular coordination affected the tetrahedral geometry of Cu(+2) to trigonal bipyramidal. Presumably this structural dynamics at the Cu(+2) center could involve in the electron transport process during protein-protein complexation.
8 citations
TL;DR: In this paper, four coordination polymers have been synthesized and characterized by elemental analysis, IR spectroscopy, thermal analysis and single-crystal X-ray diffraction techniques, which reveal that all the complexes exhibit one-dimensional (1D) linear chain structures bridged by the glutarate ligand.
8 citations
TL;DR: The results of ab initio quantum-chemical calculations of the structure, stability, and spectroscopic properties (normal frequencies, magnetic shielding constants, etc.) of the family of hypothetical (as yet unsynthesized) endohedral clusters listed in the title are surveyed in this paper.
Abstract: The results of ab initio quantum-chemical calculations of the structure, stability, and spectroscopic properties (normal frequencies, magnetic shielding constants, etc.) of the family of hypothetical (as yet unsynthesized) endohedral clusters listed in the title are surveyed. We consider the systems with (i) tetrahedral molecules and ions MX
4
0,±
and noble gas clusters Ng4 inside the “tetragonal” cages C60H36 (T), C60H24 (T), and C84 (T
d); (ii) linear triatomic MX2 and tetratomic C2H2 and BNH2 molecules inside the prolate ellipsoidal C70 (D
5h
) cage; and (iii) planar benzene and borazole molecules inside the oblate ellipsoidal C84 (D
6h
) cage.
8 citations