Vibrational assignment and force constants of S_8 from a normal-coordinate treatment

Publication

Reference: Scott D.W, McCullough J.P., Kruse F.H. (1964). Vibrational assignment and force constants of $S_8$ from a normal-coordinate treatment. J. Mol. Spectrosc., 13, 313 - 320.

Names

Title: Vibrational assignment and force constants of $S_8$ from a normal-coordinate treatment
Abstract: Normal-coordinate calculations for S8 were revised by use of new far-infrared spectral data that locate the low infrared-active fundamentals at 191 (e1) and 243 (b2) cm-1 (solution state). Digital computer methods were used. Agreement of calculated with observed frequencies could not be obtained with the basic Urey-Bradley field alone, but was obtained when an extra quadratic cross-term between adjacent S-S bond stretchings was included. The vibrational assignment based on the calculations is consistent with all well-established features of the observed spectra. Thermodynamic comparisons with vapor-pressure data for rhombic sulfur suggest that low fundamental frequencies of the S8 molecule are lower in the vapor state than in condensed states.
Keywords: spectroscopy, transmission, transmission spectra, band position, band vibration mode, vibration calculation, mid-IR, far-IR, solution, S8
Content: spectral data, band list data, experimental physics, theoretical physics

Doi

10.1016/0022-2852(64)90079-7

Identifiers