Highly localized H2O librational motion as a far-infrared spectroscopic probe for microsolvation of organic molecules

This work demonstrates how large-amplitude OH librational motion of H2O molecules directly reflects the microsolvation of organic compounds. The highly localized OH librational motion of the first solvating H2O molecule gives rise to a strong band origin νlib in the far-infrared spectral region, which is correlated quantitatively with the intermolecular hydrogen bond energy D0.

Franck-Condon Factors and r-Centroids for Several Systems of CoF Molecule

Franck–Condon factors factors and r-centroids have been calculated for the G3Φ4-X3Φ4 , K3Φ4-X3Φ4, L3Φ4-X3Φ4, [20.6]3Γ5-X3Φ4 and [34.7]3Γ5-X3Φ4 bands of Cobalt monofluoride 59Co19F from the best available molecular constants using Morse and Rydberg–Klein–Rees (RKR) methods. The reliability of the obtained values was verified by comparing the results of five different programs. Based on the calculated Franck–Condon factors values, the appearance of the bands in these systems are discussed and the relationship between the r-centroids and the band-origin wavenumbers and wavelengths are also determined along with accuracy factors.

Interplay between carotenoids, hemoproteins and the “life band” origin studied in live Rhodotorula mucilaginosa cells by means of Raman microimaging

Raman microimaging of live Rhodotorula mucilaginosa cells enabled the interrelation of carotenoids, hemoproteins and the unknown species related to the “Raman signature of life”.