The vibrational spectra and molecular configuration of sulfolane

Recommended vapor pressures for thiophene, sulfolane, and dimethyl sulfoxide

“…As Katon and Feairheller [47] did not report the lowest frequency vibration corresponding to the ring puckering (the authors stated: "No bands could be found at lower frequency, despite careful searching"), the calculated frequency for this mode was added to the experimental vibrations. The value of the lowest frequency was dependent on the basis set selected for the calculation of vibrational frequencies.…”

“…Experimental frequencies [47] DFT B3LYP/6-311 + G(2df, p) frequencies g mol −1 . The symmetry of its overall rotation was C s with symmetry number = 1.…”

“…The relative deviations between the values obtained using the calculated and experimental vibrational frequencies do not exceed 2.5% for ideal gas heat capacities and 0.6% for standard molar entropies. For the SimCor method, the ideal heat capacities were calculated using experimental fundamental vibrations [47] and calculated frequency for the lowest vibrational mode (42 cm −1 ) in the temperature range from 200 to 600 K with a step of 5 K. Obtained heat capacities were fitted with the third-order polynomial equation whose parameters are given in Table S3.…”

Infrared Spectra of Sulfolane Adsorbed on Cation-Substituted Montmorillonites

“…Wet chemical, trace emission spectrographic, scanning electron microscopic, and X-ray powder diffraction analyses were used to characterize the films. Katon and Feairheller (1965). 1 s = strong; sh = shoulder; vs = very strong; m = medium; vvs = very very strong.…”

Anomeric effect, ring inversion, structural stability and vibrational assignments of 2-chloro-1,3,2-dioxaphospholane 2-oxide and 2-sulfide, c-C2H4O2PXCl (X is O or S)

“…The interesting structure and properties of sulfolane (tetrahydrothiophene) and its unsaturated derivative 3-sulfolene (2,5-dihydro-thiophene) have turned the attention to investigate their ring inversion and vibrational spectra [1][2][3][4][5][6]. The structural stability of the two molecules has been the subject of rotational microwave [3,4], vibrational infrared, Raman spectroscopic techniques [1,2] and electron diffraction [5].…”