VIBRATIONAL SPECTRA OF ISOTOPIC NITRYL HALIDES.

Abstract

Supported by the Air Force Cambridge Research Laboratories and by the Public Health Division of Air Pollution.Author Institution: Department of Chemistry, Whitmore Laboratory, The Pennsylvania State UniversityThe infrared spectra of the N-14 and N-15 isotopic species of $NO_{2}Cl$ and $NO_{2}F$ have been investigated in the vapor and solid states. Assignments of two fundamental frequencies in both halides have been changed from those of previous studies. The original assignments of $\nu_{3}$ and $\nu_{5}$ have been reversed in the case of $NO_{2}Cl$ and a band at $460 cm^{-1}$ in $NO_{2}F$ which had been attributed to $\nu_{3}$ was shown to originate from an impurity. New sets of force constants using both the Valence Force Field and the Urey-Bradley Force Field were calculated. $NO_{2}Cl$ was found to be particularly favorable for normal coordinate analysis and unique force constants were determined