High-Resolution FTIR Spectra of CD235Cl2: Analysis of the ν3/ν7/ν9 Triad

Snels, Marcel; D'Amico, G.; Mkadmi, E.B.

doi:10.1006/jmsp.2002.8522

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2019

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“…Coriolis coupling (C-c) has been reported for CH 2 Cl 2 . It is noteworthy that Snels et al − studied CH 2 Cl 2 by infrared spectroscopy and found c- and b-type C-c. Between CH 2 C 35 Cl 2 and CH 2 35 Cl 37 Cl, they reported neglegibly small isotope effects on the C-c constants (ca.…”

Section: Introductionmentioning

confidence: 99%

Electronic Predissociation in the Dichloromethane Cation CH₂Cl₂⁺ Electronic State ²A₁

et al. 2019

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The loss of a Cl atom from metastable CH2Cl2 + in the mass-analyzed ion kinetic energy experiment is characterized by a borderline zero kinetic energy release and large kinetic isotope effects on chlorine and hydrogen. Ab initio calculations are employed to assist the interpretation in terms of a nonadiabatic reaction involving electronic predissociation of the electronically excited state 2A1 and two-dimensional reaction dynamics. Strong curvature in the reaction coordinate leads to a bobsled effect that accounts for the low kinetic energy release. The kinetic isotope effects enter via the predissociation rate and are interpreted in terms of vibrational overlap integrals.

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Section: Introductionmentioning

confidence: 99%

Electronic Predissociation in the Dichloromethane Cation CH₂Cl₂⁺ Electronic State ²A₁

et al. 2019

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High-Resolution FTIR Spectra of CD235Cl2: Analysis of the ν3/ν7/ν9 Triad

Cited by 1 publication

References 9 publications

Electronic Predissociation in the Dichloromethane Cation CH₂Cl₂⁺ Electronic State ²A₁

Electronic Predissociation in the Dichloromethane Cation CH₂Cl₂⁺ Electronic State ²A₁

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High-Resolution FTIR Spectra of CD235Cl2: Analysis of the ν3/ν7/ν9 Triad

Cited by 1 publication

References 9 publications

Electronic Predissociation in the Dichloromethane Cation CH2Cl2+ Electronic State 2A1

Electronic Predissociation in the Dichloromethane Cation CH2Cl2+ Electronic State 2A1

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Electronic Predissociation in the Dichloromethane Cation CH₂Cl₂⁺ Electronic State ²A₁

Electronic Predissociation in the Dichloromethane Cation CH₂Cl₂⁺ Electronic State ²A₁