On the combined experimental and theoretical investigations on 3-nitrophenylamine for nonlinear optical applications

Journal Article · Wed Jun 24 00:00:00 EDT 2015 · AIP Conference Proceedings

DOI:https://doi.org/10.1063/1.4918034· OSTI ID:22490477

G, Saravana Kumar.; P, Murugakoothan ^[1]

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1. MRDL, PG & Research Department of Physics, Pachaiyappa’s College, Chennai – 600030 (India)

Single crystal of 3-Nitrophenylamine (3-NPA) was grown using methanol as solvent by slow evaporation technique. The cell parameters and crystal structure was elucidated by single crystal X-ray diffraction analysis. The laser damage threshold of the title compound was measured using Nd:YAG laser. The second harmonic generation (SHG) nonlinearity was measured using Kurtz-Perry powder technique. The optimized geometry, dipole moment, polarizability and first order hyperpolarizability were obtained by density functional theory (DFT) using 6-31++G (d, p) basis set.

• OSTI ID: 22490477
• Journal Information: AIP Conference Proceedings, Vol. 1665, Issue 1; Conference: 59. DAE solid state physics symposium 2014, Tamilnadu (India), 16-20 Dec 2014; Other Information: (c) 2015 AIP Publishing LLC; Country of input: International Atomic Energy Agency (IAEA); ISSN 0094-243X
• Country of Publication: United States
• Language: English

Related Subjects

75 CONDENSED MATTER PHYSICS
SUPERCONDUCTIVITY AND SUPERFLUIDITY
ANILINE
CRYSTAL GROWTH
CRYSTAL STRUCTURE
DENSITY FUNCTIONAL METHOD
DIPOLE MOMENTS
EVAPORATION
HARMONIC GENERATION
IRRADIATION
LASER RADIATION
METHANOL
MONOCRYSTALS
NEODYMIUM LASERS
NONLINEAR PROBLEMS
ORGANIC NITROGEN COMPOUNDS
POLARIZABILITY
POWDERS
X-RAY DIFFRACTION