Theoretical and computational studies of electronic transitions in molecular collisions. Final technical report 15 May 74--14 Nov 77

Technical Report · Thu Jan 13 00:00:00 EST 1977

OSTI ID:6672595

George, T F

Semiclassical and quantum mechanical methods were developed to describe energy transfer, and reaction dynamics in molecular collision systems. Emphasis was given to processes involving electronic transitions and the dynamic coupling of two or more potential energy surfaces. Calculations were carried out for reactive collisions of a proton with deuterium molecule and reactive collisions of fluorine atom in its excited spin-orbit state with hydrogen molecule. Calculations were also performed for nonreactive collisions of halogen atoms with hydrogen molecule, where resonance behavior in electronic-to-rotational energy transfer was observed for the case of fluorine atom, and likewise in electronic-to-vibrational energy transfer for the case of bromine atom. The semiclassical and quantum mechanical methods were extended to the study of molecular collision processes in the presence of intense laser radiation (power density greater than a megawatt per square centimeter). This study revealed that such radiation can have dramatic effects on the dynamics of energy transfer and chemical reactions.

• Research Organization: Rochester Univ., NY (USA). Dept. of Chemistry
• DOE Contract Number: F44620-74-C-0073
• OSTI ID: 6672595
• Report Number(s): AD-A-050380
• Country of Publication: United States
• Language: English

Related Subjects

74 ATOMIC AND MOLECULAR PHYSICS
ATOM-MOLECULE COLLISIONS
EXCITATION
BROMINE
FLUORINE
HALOGENS
HYDROGEN
DEUTERIUM
ION-MOLECULE COLLISIONS
HYDROGEN IONS 1 PLUS
CHEMICAL REACTIONS
LASER RADIATION
REACTION KINETICS
ATOM COLLISIONS
CATIONS
CHARGED PARTICLES
COLLISIONS
CRYOGENIC FLUIDS
ELECTROMAGNETIC RADIATION
ELEMENTS
ENERGY-LEVEL TRANSITIONS
FLUIDS
HYDROGEN IONS
HYDROGEN ISOTOPES
ION COLLISIONS
IONS
ISOTOPES
KINETICS
LIGHT NUCLEI
MOLECULE COLLISIONS
NONMETALS
NUCLEI
ODD-ODD NUCLEI
RADIATIONS
STABLE ISOTOPES
640304* - Atomic
Molecular & Chemical Physics- Collision Phenomena