Quantum Theory of Polyatomic Photodissociation

Kresin, Vladimir Z.; Lester, William A.

doi:10.1002/9780470133439.ch2

Cited by 7 publications

(3 citation statements)

References 92 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…As was mentioned in the Introduction, the quasidiscrete and dissociative states are degenerate. One can show [7], however, that Eq. (39) is a good approximation to the exact expression that takes explicit account of the degeneracies of the quasidiscrete and dissociative states.…”

Section: The Photodissociation Ratementioning

confidence: 87%

“…They allow one to express 6: and Of in terms of appropiate internal coordinates. For example, for a linear triatomic system ABA, one obtains the following relations [7] …”

Section: The Photodissociation Ratementioning

confidence: 98%

“…(7), as a nuclear wavefunction and v is the collective index of the vibrational quantum numbers. Note that two approximations were made to obtain Eqs.…”

Section: (4)mentioning

confidence: 99%

See 2 more Smart Citations

A new adiabatic approach to the photodissociation of polyatomic molecules

Kresin

Lester

2009

Int. J. Quantum Chem.

Self Cite

View full text Add to dashboard Cite

An adiabatic theory of polyatomic photodissociation is developed that explicitly treats the interaction between the relative and internal motion and leads to an expression for the nuclear wavefunction of the final dissociative state which differs considerably from the zeroth-order distorted-wave approximation. The vibrational frequencies wi of the fragments are found to depend on the interfragment distance. In the evaluation of the matrix element needed to describe the energy distribution of the fragments, it is found necessary to use values of wi different from the frequencies of the free fragments. These values of wi can be expressed in terms of the force constants of the precursor system. Inverse vibrational distributions are obtained from this theory in accord with recent experimental data.

show abstract

Section: The Photodissociation Ratementioning

confidence: 87%

“…They allow one to express 6: and Of in terms of appropiate internal coordinates. For example, for a linear triatomic system ABA, one obtains the following relations [7] …”

Section: The Photodissociation Ratementioning

confidence: 98%

See 1 more Smart Citation

A new adiabatic approach to the photodissociation of polyatomic molecules

Kresin

Lester

2009

Int. J. Quantum Chem.

Self Cite

View full text Add to dashboard Cite

show abstract

Kinematic distribution function to calculate rotational populations of photofragments from photodissociation of triatomic molecules

Muñoz

Ishikawa

Weiner

1991

Int. J. Quantum Chem.

View full text Add to dashboard Cite

A general procedure to evaluate the rotational state population distributions of the nascent photofragments from the photodissociation of polyatomic molecules has been implemented with the use. of the kinematic distribution function developed by Chen and Pei [Chem. Phys. Lett. 124, 365 ( 1986)l. Numerical evaluations of rotational state population distributions of diatomic photofragments from photodissociation of the general class of triatomic molecules are presented. The calculated rotational state population distributions are compared with the most recent experimental data on OH and SH photofragments to obtain the information on the kinematic aspects of the photodissociating HzO and HzS molecules.

show abstract

Photodissociation Dynamics : State selection and beyond

Das¹

1991

Reaction Dynamics

View full text Add to dashboard Cite

Quantum Theory of Polyatomic Photodissociation

Cited by 7 publications

References 92 publications

A new adiabatic approach to the photodissociation of polyatomic molecules

A new adiabatic approach to the photodissociation of polyatomic molecules

Kinematic distribution function to calculate rotational populations of photofragments from photodissociation of triatomic molecules

Photodissociation Dynamics : State selection and beyond

Contact Info

Product

Resources

About