z-logo
Premium
Energy Transfer and Bond Dissociation in the o ‐chlorotoluene + H 2 /Cl 2 / HCl Collisions
Author(s) -
Jeong Yun Jeong,
Ree Jongbaik,
Kim Yoo Hang,
Shin Hyung Kyu
Publication year - 2017
Publication title -
bulletin of the korean chemical society
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.237
H-Index - 59
ISSN - 1229-5949
DOI - 10.1002/bkcs.11201
Subject(s) - intramolecular force , excited state , chemistry , dissociation (chemistry) , intermolecular force , vibration , excitation , bond dissociation energy , atomic physics , molecule , vibrational energy , energy transfer , analytical chemistry (journal) , molecular physics , stereochemistry , physics , organic chemistry , quantum mechanics , chromatography
Energy flow and C–H and C–Cl bond dissociations in o ‐chlorotoluene ( OCT ) in collisions with H 2 , Cl 2 , and HCl are studied using classical trajectory methods. The energy loss by the excited OCT is small, but it increases with increasing total vibrational energy content E T of OCT between 5000 cm −1 and 30000 cm −1 . The energy loss is larger in OCT + HCl collision than in OCT + H 2 or OCT + Cl 2 . The difference is mainly due the near‐resonant conditions between the vibration of the incident molecule and the C–H or C–Cl vibrations. Intermolecular energy transfer occurs through vibration–translation ( V–T ) and vibration–vibration ( V–V ) pathways. The intramolecular energy flow between C–H and C–Cl in highly excited OCT (60000–60300 cm −1 ) leads to bond dissociation. The probabilities of C–H and C–Cl dissociation are 10 −5 –10 −1 and increase exponentially with increasing vibrational excitation of OCT. The probabilities are found to increase when the incident molecule becomes heavier.

This content is not available in your region!

Continue researching here.

Having issues? You can contact us here