Theoretical determination of the nonlinear optical properties of inorganic polymers

Conference · Thu Mar 01 04:00:00 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
• Country of Publication: United States
• Language: English

Related Subjects

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