New adiabatic approach to the photodissociation of polyatomic molecules

Journal Article · Thu Jan 01 04:00:00 EST 1981 · Int. J. Quant. Chem., Symp.; (United States)

DOI:https://doi.org/10.1002/qua.560200873· OSTI ID:6266068

Kresin, V Z; Lester, Jr, W A

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 ..omega../sub i/ 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 ..omega../sub i/ different from the frequencies of the free fragments. These values of ..omega../sub i/ 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.

• Research Organization: Lawrence Berkeley Lab., CA
• DOE Contract Number: W-7405-ENG-48
• OSTI ID: 6266068
• Journal Information: Int. J. Quant. Chem., Symp.; (United States), Journal Name: Int. J. Quant. Chem., Symp.; (United States) Vol. 15; ISSN IJQSA
• Country of Publication: United States
• Language: English

Related Subjects

640304* -- Atomic
Molecular & Chemical Physics-- Collision Phenomena
74 ATOMIC AND MOLECULAR PHYSICS
COLLISIONS
DISSOCIATION
ENERGY LEVELS
EXCITED STATES
FUNCTIONS
MECHANICS
MOLECULE COLLISIONS
MOLECULES
PHOTON COLLISIONS
PHOTON-MOLECULE COLLISIONS
POLYATOMIC MOLECULES
QUANTUM MECHANICS
VIBRATIONAL STATES
WAVE FUNCTIONS