Open Access. Powered by Scholars. Published by Universities.®
Articles 1 - 2 of 2
Full-Text Articles in Physics
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath
A Local Mode Study Of Ring Puckering Effects In The Infrared Spectra Of Cyclopentane, Edwin L. Sibert Iii, Peter F. Bernath
Chemistry & Biochemistry Faculty Publications
We report and interpret recently recorded high-resolution infrared spectra for the fundamentals of the CH2 scissors and CH stretches of gas phase cyclopentane at −26.1 and −50 ○C, respectively. We extend previous theoretical studies of this molecule, which is known to undergo barrierless pseudorotation due to ring puckering, by constructing local mode Hamiltonians of the stretching and scissor vibrations for which the frequencies, couplings, and linear dipoles are calculated as functions of the pseudorotation angle using B3LYP/6-311++(d,p) and MP2/cc-pVTZ levels of theory. Symmetrization (D5h) of the vibrational basis sets leads to simple vibration/pseudorotation Hamiltonians whose solutions …
Spectrometric Monitoring Of Atmospheric Carbon Tetrafluoride (Cf4) Above The Jungfraujoch Station Since 1989: Evidence Of Continued Increase But At A Slowing Rate, E. Mahieu, R. Zander, G. C. Toon, M. K. Vollmer, S. Reimann, J. Muhle, W. Bader, B. Bovy, B. Lejune, C. Servais, P. F. Bernath
Spectrometric Monitoring Of Atmospheric Carbon Tetrafluoride (Cf4) Above The Jungfraujoch Station Since 1989: Evidence Of Continued Increase But At A Slowing Rate, E. Mahieu, R. Zander, G. C. Toon, M. K. Vollmer, S. Reimann, J. Muhle, W. Bader, B. Bovy, B. Lejune, C. Servais, P. F. Bernath
Chemistry & Biochemistry Faculty Publications
The long-term evolution of the vertical column abundance of carbon tetrafluoride (CF4) above the high-altitude Jungfraujoch station (Swiss Alps, 46.5 ° N, 8.0 ° E, 3580 ma.s.l.) has been derived from the spectrometric analysis of Fourier transform infrared solar spectra recorded at that site between 1989 and 2012. The investigation is based on a multi-microwindow approach, two encompassing pairs of absorption lines belonging to the R-branch of the strong ν3 band of CF4 centered at 1283 cm-1, and two additional ones to optimally account for weak but overlapping HNO3 interferences. The analysis reveals …