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)

  • MORRISSHERWOOD, B. J., & HALL, M. B.

citation count

  • 8

complete list of authors

  • MORRISSHERWOOD, BJ||HALL, MB

publication date

  • November 1981