Accession Number : AD0806865

Title :   THE NMR AND MICROWAVE SPECTRUM OF SOME DEUTERO-DERIVATIVES OF 2,4-DICARBACLOVOHEPTABORANE(7),

Descriptive Note : Interim technical rept.,

Corporate Author : CALIFORNIA STATE UNIV LOS ANGELES DEPT OF CHEMISTRY

Personal Author(s) : Onak, Thomas ; Dunks, Gary B. ; Beaudet, Robert A. ; Poynter, Robert L.

Report Date : 03 JAN 1967

Pagination or Media Count : 22

Abstract : Although the structure of 2,4-dicarbaclovoheptaborane has been determined, ambiguous nmr assignments were obtained for both the 11B and 1H nmr spectra of this molecule. Deuterium exchange was expected to aid in the nmr analysis of this molecule. Although deuterium exchanges at all five boron sites at high temperatures (100 deg), at lower temperatures (ambient) deuterium exchanges in only three definite positions. A determination of these deuterium atom locations by microwave spectroscopy for the partially deuterated isotopic species allows an unequivocal assignment to be made for both the 11B and 1H nmr spectra. For the partially deuterated molecule, the three deuterium atoms are preferentially substituted on the boron atoms in the equatorial plane. (Author)

Descriptors :   (*ORGANOBORANES, NUCLEAR MAGNETIC RESONANCE), (*DEUTERIUM COMPOUNDS, MICROWAVE SPECTROSCOPY), MOLECULAR STRUCTURE, ATOMIC ENERGY LEVELS, ATOMIC ORBITALS, EXCITATION, DIBORANES, EXCHANGE REACTIONS, HYDROGEN, BORON, STABLE ISOTOPES, MASS SPECTROSCOPY, ABSORPTION SPECTRA, INFRARED SPECTRA.

Subject Categories : Organic Chemistry
      Atomic and Molecular Physics and Spectroscopy

Distribution Statement : APPROVED FOR PUBLIC RELEASE