Abstract
The Urey-Bradley force field has been used to calculate the vibrational force constants in NOF, NOCl, NOBr, NO 2F and NO 2Cl. Refined force constants using harmonic frequencies of NOCl and NO 2 molecules containing isotopic nitrogen atoms have also been evaluated. The transfer of Urey-Bradley force constants from N 2O 4 and NOX to NO 2X yielded reasonably good results except for the N-F stretching mode in NO 2F. For the nitryl fluoride a possible change in assignment is suggested from the present calculations.
Published Version
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