A Theoretical Study of the Electronic Structures of Tetrahedral Boron-Halogen Complexes

A Theoretical Study of the Electronic Structures of Tetrahedral Boron-Halogen Complexes

This study addresses the structure and the bonding in the family of tetrahedral boranes. The specific molecules studied are the series B4X4 (X=H, F, Br, Cl, I), the series B4BrCl3, B4Br2Cl2, and B4Br3Cl and tetra-tert-butyl-tetraborane, t-Bu4B4. The research presented herein employs the Hartree-Fock...

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Bibliographic Details
Main Author: Alshahrani, Sahar
Format: Others
Published: DigitalCommons@Robert W. Woodruff Library, Atlanta University Center 2019
Subjects:
Tetraboron Halogen
Stabilities
Basis Set Dependence
IR spectra
Electronic Structure
DFT
Physical Chemistry
Online Access:http://digitalcommons.auctr.edu/cauetds/180
http://digitalcommons.auctr.edu/cgi/viewcontent.cgi?article=1322&context=cauetds

Internet

http://digitalcommons.auctr.edu/cauetds/180
http://digitalcommons.auctr.edu/cgi/viewcontent.cgi?article=1322&context=cauetds

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