Journal
JOURNAL OF PHYSICAL CHEMISTRY A
Volume 111, Issue 31, Pages 7437-7448Publisher
AMER CHEMICAL SOC
DOI: 10.1021/jp071008z
Keywords
-
Ask authors/readers for more resources
n-Alkanols can occur in a multitude of energetically competitive conformational states. Using the OH stretching vibration as an infrared and Raman spectroscopic sensor in supersonic jet expansions, the torsional preferences around the C-alpha-O and C-beta-C-alpha bonds are probed for n-propanol through n-hexanol. Raman detection is more powerful for isolated monomers, whereas IR spectroscopy is more sensitive for molecular complexes. The subtle IR vibrational shift induced by the nanocoating of n-alcohols with Ar atoms is shown to alternate with chain length. A large number of alcohol dimer absorptions is observed and subjected to collisional relaxation and nanocoating conditions. Essential features of the dimer spectra are modeled successfully by a simple force field approach. Exploratory quantum chemical calculations up to the MP2/aug-cc-pvqz level encourage a rigorous theoretical study of the subtle conformational aspects in monomers and possibly also in dimers of linear alcohols.
Authors
I am an author on this paper
Click your name to claim this paper and add it to your profile.
Reviews
Recommended
No Data Available