✍ Scribed by Juana Vázquez; Juan Jesús López Gozález; F. Márquez; James E. Boggs
No coin nor oath required. For personal study only.
The infrared spectrum of pyridazine (1,2-diazine) was obtained in the pure liquid and in solution (4000-200 cm-1), in the gas phase and as a polycrystalline Ðlm (4000-400 cm-1). Additionally, the Raman spectrum of the liquid together with qualitative depolarization ratios were obtained. Using the new experimental evidence, an ab initio scaled computation of the vibrational spectrum at the HF/3-21G* and HF/6-31G** levels of theory clariÐed the spectral regions most often discussed in the literature. The IR spectra in and solutions showed a splitting CS 2 CCl 4 in the CH stretching region. The IR spectrum in polycrystalline Ðlm together with the scaled calculations were decisive in the assignment of the fundamentals. The IR spectrum in the gas phase showed, Ðrst, an A-type A 2 contour at 665 cm-1 which determined the and assignments and, second, the lowest wavenumber m 9
(A 1 ) m 24 (B 2 ) ring vibration at 1027 cm-1 which was related to the band at 1043 cm-1 in polycrystalline Ðlm. 1998
📜 SIMILAR VOLUMES
## Abstract Sodium bromate is one of the few crystals which incorporate polyatomic ions in their structure and in which all the normal modes of vibration of the lattice are either Raman or infra‐red active. Thus it is an ideal meterial for investigation by the techniques of vibrational spectroscopy
A normal coordinate analysis for cyclic tetra-Lalanine molecule is reported. A comparison of amide modes and other low-frequency vibrations sensitive to conformational changes is made with t.hose in poly-Lalanine. Intramolecular coupling coefficients are calculated using perturbation treatment.
The high-resolution infrared emission spectrum of \(\mathrm{MgF}\) was recorded with a Fourier transform spectrometer. More than 800 rovibrational lines from the \(v=1 \rightarrow 0\) to \(v=7 \rightarrow 6\) bands were assigned. The Dunham coefficients for the \(X^{2} \Sigma^{+}\)electronic ground