Related Experiment Video
Updated: Aug 7, 2026

Construction and Systematical Symmetric Studies of a Series of Supramolecular Clusters with Binary or Ternary Ammonium Triphenylacetates
Published on: February 15, 2016
Prediction of a family of cage-shaped boric acid clusters
Weizhou Wang1, Yu Zhang, Kaixun Huang
1Department of Chemistry, Huazhong University of Science and Technology, Wuhan 430074, China. wzwang@vip.163.com
Abstract:
Equilibrium geometries, energies, and vibrational frequencies of cage-shaped boric acid clusters including the onion-like structure have been calculated at the HF/6-31G and B3LYP/6-31G(d) levels of theory. A family of cage-shaped boric acid clusters becomes evident according to our calculations. Each member of the family is formed by strong O-H...O hydrogen bonds. Higher cage-shaped boric acid clusters are more stable. The calculated stabilization energies for the cage-shaped boric acid clusters appear to steadily increase with the number of boric acid molecules (n) and are nearly linear in n. Similarities between cage-shaped boric acid clusters and fullerenes are also discussed.
Related Concept Videos
VSEPR Theory and the Basic Shapes
Predicting Molecular Geometry
Hybridization of Atomic Orbitals I
Valence Bond Theory
Aromatic Hydrocarbon Cations: Structural Overview
Removing one hydrogen from the intervening CH2 group with both...
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...

