Theoretical study of the structure of tetraborane(10) Academic Article uri icon

abstract

  • Fully optimized geometries are reported for two possible isomers of B4H10. At the restricted Hartree-Fock level, the unobserved bisdiborane isomer is lower in energy than the observed isomer. Generalized-molecular-orbital, configuration-interaction calculations show that electron correlation is responsible for this reversal. Electron correlation may be important in stabilizing other cluster molecules. © 1981.

published proceedings

  • Chemical Physics Letters

author list (cited authors)

  • Morris-Sherwood, B. J., & Hall, M. B

citation count

  • 8

complete list of authors

  • Morris-Sherwood, Betty J||Hall, Michael B

publication date

  • November 1981