Investigation of nonlinear optical properties of organic based di amine substituted tetraphenylethylene

The nonlinear optical (NLO) activity of di amine substituted tetraphenylethylene (TPE-di NH2) have been investigated by computed polarizability (α), first order hyperpolarizability (β) and uv-vis experimental results. Structure optimization and calculation of different properties of the probe molecu...

Full description

Saved in:
Bibliographic Details
Main Authors: Rana, Meenakshi, Chatterjee, Amrita, Chowdhury, Papia
Format: Conference Proceeding
Language:English
Subjects:
Computation
Density functional theory
Energy gap
Investigations
Ionization potentials
Molecular orbitals
Nonlinear optics
Optical properties
Substitutes
Online Access:Get full text
Tags: Add Tag
No Tags, Be the first to tag this record!
Description
Summary:The nonlinear optical (NLO) activity of di amine substituted tetraphenylethylene (TPE-di NH2) have been investigated by computed polarizability (α), first order hyperpolarizability (β) and uv-vis experimental results. Structure optimization and calculation of different properties of the probe molecule has been done using density functional theory (DFT). Charge analysis, frontier molecular orbital (FMO) and molecular electrostatic potential (MEP) were investigated by computed results. The NLO activeness is also supported by high value of ionization potential (IP), hardness (η) and smaller energy gap (Δε).
ISSN:0094-243X
1551-7616
DOI:10.1063/1.5052124