Force constants of the hexacarbonyls of chromium, molybdenum, and tungsten from the vibrational spectra of isotopic species

Vibrational Lifetimes and Spectral Shifts in Supercritical Fluids as a Function of Density: Experiments and Theory

“…Since the relaxation occurs without collisions with the solvent, the energy remains in the molecule. Calculations using the known frequencies of all of the modes 40 show that depositing ∼2000 cm -1 into the molecule raises the vibrational temperature from the initial 326 to 450 K. This produces a red shift of the absorption spectrum, which was determined by temperature-dependent absorption measurements. 9 The pumpprobe signal has two equal parts, ground-state depletion and stimulated emission.…”

Analysis of the “Unusual” Vibrational Components of Triply Degenerate Vibrational Mode ν6 of Mo(CO)6 Based on the Classical Interpretation of the Effective Rotation–Vibration Hamiltonian

“…For J Ͻ 8, we can see the three Coriolis components containing 2J Ϫ 1, 2J ϩ 1, and 2J ϩ 3 levels, respectively. The corresponding decomposition [22] can be confirmed by comparing the symmetries of the calculated quantum states to the decomposition Ᏸ (R) of the weight-R irreducible representation of the rotation group O(3) into irreducible representations of O h multiplied by the appropriate factor ⌫ i ϭ A 1u defined in [21]. As an example consider the rotational multiplet for J ϭ 5 (Parity is always u and has been omitted, wavenumbers are in reciprocal centimeters, degeneracy of levels A, E, and F is 1, 2, and 3.…”

Crystal and molecular structure of vanadium hexacarbonyl

“…that the carbonyl moves as a unit, we can estimate the r. . The amplitudes calculated for Cr(CO)6 from spectroscopic data (Jones, McDowell & Goldblatt, 1969) were u(Cr-C) 0.058 and u(Cr...O) 0.057 A. The apparently large amplitudes for V(CO) 6 were quoted by Schmidling (1975) as evidence for a dynamic Jahn-Teller distortion.…”