A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy

H Kato; H Masui; M Hoshino; H Cho; O Ingolfsson; Michael Brunger; P Limao-Vieira; H Tanaka

doi:10.1063/1.3464483

A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy

H Kato
, H Masui
, M Hoshino
, H Cho
, O Ingolfsson
, Michael Brunger
, P Limao-Vieira
, H Tanaka

Research output: Contribution to journal › Article › peer-review

18 Citations (Scopus)

Abstract

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.

Original language	English
Article number	054304
Pages (from-to)	054304-1-054304-7
Number of pages	7
Journal	Journal of Chemical Physics
Volume	133
Issue number	5
DOIs	https://doi.org/10.1063/1.3464483
Publication status	Published - 7 Aug 2010

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title = "A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy",

abstract = " 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.",

author = "H Kato and H Masui and M Hoshino and H Cho and O Ingolfsson and Michael Brunger and P Limao-Vieira and H Tanaka",

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doi = "10.1063/1.3464483",

language = "English",

volume = "133",

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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 - https://www.scopus.com/pages/publications/77955838739

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 -

A-band methyl halide dissociation via electronic curve crossing as studied by electron energy loss spectroscopy

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