TY - JOUR
T1 - A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy
AU - Kato, H
AU - Masui, H
AU - Hoshino, M
AU - Cho, H
AU - Ingolfsson, O
AU - Brunger, Michael
AU - Limao-Vieira, P
AU - Tanaka, H
PY - 2010/8/7
Y1 - 2010/8/7
N2 -
Excitation of the A -band low-lying electronic states in the methyl halides, CH
3
I, CH
3
Br, CH
3
Cl, and CH
3
F, has been investigated for the (n→ σ
*
) transitions, using electron energy loss spectroscopy (EELS) in the range of 3.5-7.5 eV. For the methyl halides, CH
3
I, CH
3
Br, and CH
3
Cl, three components of the Q complex (
3
Q
1
,
3
Q
0
, and
1
Q
1
) were directly observed, with the exception of methyl fluoride, in the optically forbidden EELS experimental conditions of this investigation. The effect of electronic-state curve crossing emerged in the transition probabilities for the
3
Q
0
and
1
Q
1
states, with spin-orbit splitting observed and quantified against results from recent ab initio studies.
AB -
Excitation of the A -band low-lying electronic states in the methyl halides, CH
3
I, CH
3
Br, CH
3
Cl, and CH
3
F, has been investigated for the (n→ σ
*
) transitions, using electron energy loss spectroscopy (EELS) in the range of 3.5-7.5 eV. For the methyl halides, CH
3
I, CH
3
Br, and CH
3
Cl, three components of the Q complex (
3
Q
1
,
3
Q
0
, and
1
Q
1
) were directly observed, with the exception of methyl fluoride, in the optically forbidden EELS experimental conditions of this investigation. The effect of electronic-state curve crossing emerged in the transition probabilities for the
3
Q
0
and
1
Q
1
states, with spin-orbit splitting observed and quantified against results from recent ab initio studies.
UR - http://www.scopus.com/inward/record.url?scp=77955838739&partnerID=8YFLogxK
U2 - 10.1063/1.3464483
DO - 10.1063/1.3464483
M3 - Article
SN - 0021-9606
VL - 133
SP - 054304-1-054304-7
JO - Journal of Chemical Physics
JF - Journal of Chemical Physics
IS - 5
M1 - 054304
ER -