Theoretical determination of the nonlinear optical properties of inorganic polymers

Conference · Thu Mar 01 00:00:00 EST 1990

OSTI ID:6454994

Risser, S M; Ferris, K F

Third order hyperpolarizabilities were calculated using the Huckel Hamiltonian and third order perturbation theory for a series of phosphonitrilic compounds, (X{sub 2}P-N){sub n}, as a function of bond length alternation, ligand substitution and backbone conformation. Phosphonitrilic compounds show hyperpolarizabilities comparable to those reported for organic species, and are modulated by ligand group electronegativity. In contrast to organic polyenes, the difference in {pi} orbital energy between phosphorus and nitrogen is critical to determining the onset of saturation and the magnitude of the hyperpolarizability. Conformation effects are smaller than those seen in polyenes. 15 refs., 5 figs.

• Research Organization: Pacific Northwest Lab., Richland, WA (USA)
• Sponsoring Organization: DOE/ER
• DOE Contract Number: AC06-76RL01830
• OSTI ID: 6454994
• Report Number(s): PNL-SA-17356; CONF-8911192-8; ON: DE91005183
• Resource Relation: Conference: 1989 Boulder damage symposium, Boulder, CO (USA), 1-3 Nov 1989
• Country of Publication: United States
• Language: English

Related Subjects

36 MATERIALS SCIENCE
75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
37 INORGANIC
ORGANIC
PHYSICAL AND ANALYTICAL CHEMISTRY
PHOSPHORUS NITRIDES
OPTICAL PROPERTIES
HAMILTONIANS
INORGANIC COMPOUNDS
MOLECULAR STRUCTURE
NONLINEAR PROBLEMS
PERTURBATION THEORY
POLYMERS
MATHEMATICAL OPERATORS
NITRIDES
NITROGEN COMPOUNDS
PHOSPHORUS COMPOUNDS
PHYSICAL PROPERTIES
PNICTIDES
QUANTUM OPERATORS
360603* - Materials- Properties
656002 - Condensed Matter Physics- General Techniques in Condensed Matter- (1987-)
400201 - Chemical & Physicochemical Properties