TY - JOUR
T1 - Infrared predissociation of ternary cluster cations
T2 - The solvent effects on the branching ratio
AU - Alauddin, Md
AU - Song, Jae Kyu
AU - Choe, Joong Chul
AU - Park, Seung Min
PY - 2012/3/21
Y1 - 2012/3/21
N2 - Infrared (IR) predissociation of hydrogen-bonded ternary cluster ions such as aniline-water-ethanol (AWE +), aniline-water-isopropanol (AWP +), aniline-methanol-ethanol (AME +), aniline-water-pyrrole (AWPy +), and aniline-water-benzene (AWB +) was examined in the region of 2700-4000 cm -1 to explore the key factors which determine the branching ratios in the concurrent unimolecular dissociation. The smaller solvent molecule was predominantly ejected when the binding energies of the two were not too different. On the other hand, when they were far off, the binding energy also acted significantly on the branching ratio. Besides, mode-selective IR predissociation was observed, while the selectivity was not quite distinct. The IR predissociation of ternary cluster ions bound via hydrogen bonding is considered to occur on a time scale much faster than intramolecular vibrational energy redistribution, which was proved by a statistical transition state theory.
AB - Infrared (IR) predissociation of hydrogen-bonded ternary cluster ions such as aniline-water-ethanol (AWE +), aniline-water-isopropanol (AWP +), aniline-methanol-ethanol (AME +), aniline-water-pyrrole (AWPy +), and aniline-water-benzene (AWB +) was examined in the region of 2700-4000 cm -1 to explore the key factors which determine the branching ratios in the concurrent unimolecular dissociation. The smaller solvent molecule was predominantly ejected when the binding energies of the two were not too different. On the other hand, when they were far off, the binding energy also acted significantly on the branching ratio. Besides, mode-selective IR predissociation was observed, while the selectivity was not quite distinct. The IR predissociation of ternary cluster ions bound via hydrogen bonding is considered to occur on a time scale much faster than intramolecular vibrational energy redistribution, which was proved by a statistical transition state theory.
UR - http://www.scopus.com/inward/record.url?scp=84863249727&partnerID=8YFLogxK
U2 - 10.1039/c2cp23924h
DO - 10.1039/c2cp23924h
M3 - Article
C2 - 22331177
AN - SCOPUS:84863249727
SN - 1463-9076
VL - 14
SP - 3864
EP - 3871
JO - Physical Chemistry Chemical Physics
JF - Physical Chemistry Chemical Physics
IS - 11
ER -