skip to main content

Title: 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.
Authors:
;
Publication Date:
OSTI Identifier:
1070010
Report Number(s):
LBL-10901
Journal ID: ISSN 0021-9606
DOE Contract Number:
DE-AC02-05CH11231
Resource Type:
Journal Article
Resource Relation:
Journal Name: Journal of Chemical Physics; Journal Volume: 73; Journal Issue: 8
Research Org:
Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States)
Sponsoring Org:
Materials Sciences Division
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; 37 INORGANIC, ORGANIC, PHYSICAL, AND ANALYTICAL CHEMISTRY