Physics – Atomic and Molecular Clusters
Scientific paper
2006-10-06
Phys. Chem. Chem. Phys. 9, 401-416 (2007)
Physics
Atomic and Molecular Clusters
20 pages, 15 figures, 6 tables, RevTeX
Scientific paper
10.1039/b611340k
Rotationally resolved infrared spectra are reported for the X-HCN (X = Cl, Br, I) binary complexes solvated in helium nanodroplets. These results are directly compared with that obtained previously for the corresponding X-HF complexes [J. M. Merritt, J. K\"upper, and R. E. Miller, PCCP, 7, 67 (2005)]. For bromine and iodine atoms complexed with HCN, two linear structures are observed and assigned to the $^{2}\Sigma_{1/2}$ and $^{2}\Pi_{3/2}$ ground electronic states of the nitrogen and hydrogen bound geometries, respectively. Experiments for HCN + chlorine atoms give rise to only a single band which is attributed to the nitrogen bound isomer. That the hydrogen bound isomer is not stabilized is rationalized in terms of a lowering of the isomerization barrier by spin-orbit coupling. Theoretical calculations with and without spin-orbit coupling have also been performed and are compared with our experimental results. The possibility of stabilizing high-energy structures containing multiple radicals is discussed, motivated by preliminary spectroscopic evidence for the di-radical Br-HCCCN-Br complex. Spectra for the corresponding molecular halogen HCN-X$_{2}$ complexes are also presented.
Küpper Jochen
Merritt Jeremy M.
Miller Roger E.
No associations
LandOfFree
A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets 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 A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets, we encourage you to share that experience with our LandOfFree.com community. Your opinion is very important and A high-resolution infrared spectroscopic investigation of the halogen atom-HCN entrance channel complexes solvated in superfluid helium droplets will most certainly appreciate the feedback.
Profile ID: LFWR-SCP-O-634702