Accession Number:

AD0602673

Title:

THE ELECTRONIC STRUCTURE OF B10H12I2,

Descriptive Note:

Corporate Author:

BOEING SCIENTIFIC RESEARCH LABS SEATTLE WASH

Personal Author(s):

Report Date:

1964-03-01

Pagination or Media Count:

1.0

Abstract:

Several molecular orbital calculations were carried out for B10H12I2. The first two allowed electronic transitions are found to be polarized perpendicular to the twofold axis of the molecule, which is in agreement with experiment. The ionization energy is predicted to be 0.5 to 1.0 eV less than the ionization energy of B10H14 and the dipole moment is predicted to be 0.5 to 1.0 D greater than the dipole moment of B10H14. The charge distribution is predicted to be the same as in B10H14 with the exception of boron atoms 2 and 4 from which negative charge is abstracted by the iodine atoms. Author

Subject Categories:

Distribution Statement:

APPROVED FOR PUBLIC RELEASE