Related Experiment Video
Updated: Jul 16, 2026

Synthesis of a Thiol Building Block for the Crystallization of a Semiconducting Gyroidal Metal-sulfur Framework
Published on: April 9, 2018
Geometric structure of X(AuPH3)4+ (X = N, P, As, Sb): Td or C4v?
1School of Chemistry and Chemical Technology, Shanghai Jiao Tong University, Shanghai 200240, China.
Abstract:
The geometric structures of X(AuPH3)4+ (X = N, P, As, Sb) compounds have been determined by DFT and ab-initio methods. In agreement with experiment, N(AuPH3)4+ is Td and As(AuPH3)4+ is C4v with an apical As atom. Calculated molecular and experimental crystal structure parameters are compared. The structures of X(AuPH3)4+ (X = P, Sb) are predicted. P(AuPH3)4+ favors Td, as confirmed by CC2. The closed-shell interaction distances of Au...Au from Xalpha are consistent with the experimental values. The electronic structures and chemical deformation densities are analyzed.
More Related Videos
06:35Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
08:46Preparation and Reactivity of a Triphosphenium Bromide Salt: A Convenient and Stable Source of Phosphorus(I)
Published on: November 22, 2016
Related Concept Videos
Ionic Crystal Structures
Most monatomic ions behave as charged spheres, and their attraction for ions of opposite charge is the same in every direction. Consequently, stable structures for ionic compounds result (1) when ions of one charge are surrounded by as many ions as possible of the opposite...
Metallic Solids
All metallic solids exhibit high thermal and electrical conductivity, metallic luster, and malleability. Many...
Predicting Molecular Geometry
Coordination Number and Geometry
Hybridization of Atomic Orbitals II
Structures of Solids