The CH fragment as a model for interpreting the variations of the 3.3μm band in PAHs

Details The CH fragment as a model for interpreting the variations of the 3.3μm band in PAHs The CH fragment as a model for interpreting the variations of the 3.3μm band in PAHs

Dec 2007

adsabs.harvard.edu/cgi-bin/nph-data_query?bibcode=2007msl..confe.129p&link_type=abstract

"Molecules in Space and Laboratory, meeting held in Paris, France, May 14-18, 2007. Editors: J.L. Lemaire, F. Combes. ISBN: 9782

Astronomy and Astrophysics

Astrophysics

Modelling_Interactions

Scientific paper

Since the PAH hypothesis has been proposed for interpreting the UIR bands, the question of the intensity of the 3.3 μm has been largely debated. An in-depth study of the CH fragment using density functional theory (DFT) is presented that shows the striking difference of the dipole moment functions mu = f (rCH) between the neutral CH and the ionized fragment CH+ as a function of the CH elongation. The determining factor is the presence of an electronic hole in the pi system.

Affiliated with

Also associated with

No associations

Rating

The CH fragment as a model for interpreting the variations of the 3.3μm band in PAHs does not yet have a rating. At this time, there are no reviews or comments for this scientific paper.

If you have personal experience with The CH fragment as a model for interpreting the variations of the 3.3μm band in PAHs, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and The CH fragment as a model for interpreting the variations of the 3.3μm band in PAHs will most certainly appreciate the feedback.

Rate now

Comments { 0 }

Profile ID: LFWR-SCP-O-1024650