Urey-Bradley potential constants in dinitrogen trioxide (cas 10544-73-7)

Add time:08/08/2019    Source:sciencedirect.com

Urey-Bradley force constants from nitrogen dioxide, nitrite ion, nitrosyl halides, nitryl halides and dinitrogen tetroxide, all reported earlier, have been used to calculate the vibrational frequencies in dinitrogen trioxide. Since the structure of the trioxide is not known, several possible structures were considered and the effect of these on the calculated frequencies was determined. On the basis of these calculations, the most reasonable structure of the molecule appears to be the planar form with the N-N bond distance of about 2.08 Å or greater and the N-N-O (nitroso) angle less than about 110°.

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