VIBRATIONAL SPECTRA AND NORMAL COORDINATE ANALYSIS OF NEPTUNIUM (IV) BOROHYDRIDE AND NEPTUNIUM (IV) BORODEUTERIDE
Solid state, low temperature IR (25-7400 cm{sup -1}) and Raman (100-2600 cm{sup -1}) spectra were obtained for Np(BH{sub 4}){sub 4} and Np(BD{sub 4}){sub 4} from which most of the allowed fundamentals were assigned based on the T{sub d} molecular structure. Those assignments were used in a normal coordinate analysis to derive a simple force field using 8 primary and 5 interaction constants. This field is very similar to those found for Zr(BH{sb 4}){sub 4} and Hf(BH{sub 4}){sub 4}. Isotopic impurity, overtone, and combination bands were identified in the IR spectra with the help of the normal coordinate calculations. Near IR spectra of Zr(BH{sub 4}){sub 4} and Zr(BD{sub 4}({sub 4} were taken in the range 7400-4000 cm{sup -1} and the observed absorption bands were assigned as either overtone or combination levels.
- Research Organization:
- Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
- Sponsoring Organization:
- Materials Sciences Division
- DOE Contract Number:
- DE-AC02-05CH11231
- OSTI ID:
- 1070010
- Report Number(s):
- LBL-10901
- Journal Information:
- Journal of Chemical Physics, Vol. 73, Issue 8; ISSN 0021-9606
- Country of Publication:
- United States
- Language:
- English
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