PMID- 30137071
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20190703
IS  - 1463-9084 (Electronic)
IS  - 1463-9076 (Linking)
VI  - 21
IP  - 26
DP  - 2019 Jul 3
TI  - Photodissociation of CH(2)BrI using cavity ring-down spectroscopy: in search of a 
      BrI elimination channel.
PG  - 13943-13949
LID - 10.1039/c8cp04130j [doi]
AB  - Photodissociation of CH2BrI was investigated in search of unimolecular 
      elimination of BrI via a primary channel using cavity ring-down absorption 
      spectroscopy (CRDS) at 248 nm. The BrI spectra were acquired involving the first 
      three ground vibrational levels corresponding to A3Pi1 <-- X1Sigma+ transition. With the 
      aid of spectral simulation, the BrI rotational lines were assigned. The nascent 
      vibrational populations for v'' = 0, 1, and 2 levels are obtained with a 
      population ratio of 1 : (0.58 +/- 0.10) : (0.34 +/- 0.05), corresponding to a 
      Boltzmann-like vibrational temperature of 713 +/- 49 K. The quantum yield of the 
      ground state BrI elimination reaction is determined to be 0.044 +/- 0.014. The 
      CCSD(T)//B3LYP/MIDI! method was employed to explore the potential energy surface 
      for the unimolecular elimination of BrI from CH2BrI.
FAU - Muthiah, Balaganesh
AU  - Muthiah B
AD  - Department of Chemistry, National Taiwan Univeristy, Taipei 106, Taiwan. 
      kclin@ntu.edu.tw.
FAU - Paredes-Roibas, Denis
AU  - Paredes-Roibas D
FAU - Kasai, Toshio
AU  - Kasai T
FAU - Lin, King-Chuen
AU  - Lin KC
LA  - eng
PT  - Journal Article
PL  - England
TA  - Phys Chem Chem Phys
JT  - Physical chemistry chemical physics : PCCP
JID - 100888160
EDAT- 2018/08/24 06:00
MHDA- 2018/08/24 06:01
CRDT- 2018/08/24 06:00
PHST- 2018/08/24 06:00 [pubmed]
PHST- 2018/08/24 06:01 [medline]
PHST- 2018/08/24 06:00 [entrez]
AID - 10.1039/c8cp04130j [doi]
PST - ppublish
SO  - Phys Chem Chem Phys. 2019 Jul 3;21(26):13943-13949. doi: 10.1039/c8cp04130j.