Photodissociation as a quantum transition: Photofragment vibrational distributions of C2N2 (C̃ 1Π u predissociation

C. E. Dateo; V. Z. Kresin; M. Dupuis; W. A. Lester

doi:10.1063/1.452066

Photodissociation as a quantum transition: Photofragment vibrational distributions of C₂N₂ (C̃ ¹Π _u predissociation

C. E. Dateo
, V. Z. Kresin
, M. Dupuis
, W. A. Lester

Department of Chemical and Biological Engineering

University of California at Berkeley
IBM

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

12 Scopus citations

Abstract

Polyatomic indirect photodissociation is treated as a quantum transition between quasidiscrete and dissociative (photofragment) states. Our adiabatic method is followed to describe the nuclear dynamics of the dissociative state. Ab initio MCHF excited electronic potential energy surfaces are constructed and used to determine heavy-particle dynamics. The theory is applied to single-photon predissociation of C₂N₂(C̃ ¹Π_u ) at 164, 158.7, and 153.6 nm to form CN(X ₂Σ⁺) + CN(A ²Π). Theoretical predictions are found to be in good agreement with recent experimental product vibrational energy distributions.

Original language	English
Pages (from-to)	2639-2652
Number of pages	14
Journal	Journal of Chemical Physics
Volume	86
Issue number	5
DOIs	https://doi.org/10.1063/1.452066
State	Published - 1987

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title = "Photodissociation as a quantum transition: Photofragment vibrational distributions of C2N2 ({\~C} 1Π u predissociation",

abstract = "Polyatomic indirect photodissociation is treated as a quantum transition between quasidiscrete and dissociative (photofragment) states. Our adiabatic method is followed to describe the nuclear dynamics of the dissociative state. Ab initio MCHF excited electronic potential energy surfaces are constructed and used to determine heavy-particle dynamics. The theory is applied to single-photon predissociation of C2N2({\~C} 1Πu ) at 164, 158.7, and 153.6 nm to form CN(X 2Σ+) + CN(A 2Π). Theoretical predictions are found to be in good agreement with recent experimental product vibrational energy distributions.",

author = "Dateo, \{C. E.\} and Kresin, \{V. Z.\} and M. Dupuis and Lester, \{W. A.\}",

year = "1987",

doi = "10.1063/1.452066",

language = "English",

volume = "86",

pages = "2639--2652",

journal = "Journal of Chemical Physics",

issn = "0021-9606",

publisher = "American Institute of Physics",

number = "5",

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TY - JOUR

T1 - Photodissociation as a quantum transition

T2 - Photofragment vibrational distributions of C2N2 (C̃ 1Π u predissociation

AU - Dateo, C. E.

AU - Kresin, V. Z.

AU - Dupuis, M.

AU - Lester, W. A.

PY - 1987

Y1 - 1987

N2 - Polyatomic indirect photodissociation is treated as a quantum transition between quasidiscrete and dissociative (photofragment) states. Our adiabatic method is followed to describe the nuclear dynamics of the dissociative state. Ab initio MCHF excited electronic potential energy surfaces are constructed and used to determine heavy-particle dynamics. The theory is applied to single-photon predissociation of C2N2(C̃ 1Πu ) at 164, 158.7, and 153.6 nm to form CN(X 2Σ+) + CN(A 2Π). Theoretical predictions are found to be in good agreement with recent experimental product vibrational energy distributions.

AB - Polyatomic indirect photodissociation is treated as a quantum transition between quasidiscrete and dissociative (photofragment) states. Our adiabatic method is followed to describe the nuclear dynamics of the dissociative state. Ab initio MCHF excited electronic potential energy surfaces are constructed and used to determine heavy-particle dynamics. The theory is applied to single-photon predissociation of C2N2(C̃ 1Πu ) at 164, 158.7, and 153.6 nm to form CN(X 2Σ+) + CN(A 2Π). Theoretical predictions are found to be in good agreement with recent experimental product vibrational energy distributions.

UR - https://www.scopus.com/pages/publications/0011608380

U2 - 10.1063/1.452066

DO - 10.1063/1.452066

M3 - Article

AN - SCOPUS:0011608380

SN - 0021-9606

VL - 86

SP - 2639

EP - 2652

JO - Journal of Chemical Physics

JF - Journal of Chemical Physics

IS - 5

ER -

Photodissociation as a quantum transition: Photofragment vibrational distributions of C₂N₂ (C̃ ¹Π _u predissociation

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