Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and acceptor

Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and... J IRAN CHEM SOC (2017) 14:2041–2054 DOI 10.1007/s13738-017-1141-x ORIGINAL PAPER Nonlinear optical response of a series of small molecules: quantum modification of π‑spacer and acceptor 1,2 Muhammad Ramzan Saeed Ashraf Janjua Received: 16 January 2017 / Accepted: 12 May 2017 / Published online: 18 May 2017 © Iranian Chemical Society 2017 Abstract In this research article, a series of compounds the acceptors (TA1–TA5) are used around central quinoxa- have been designed to investigate the nonlinear opti- line group. DFT and TDDFT calculations are performed cal (NLO) response. The electronic structures, absorption to shed light on how structural modification influences the spectra and nonlinear optical response have been calculated NLO properties. Polarizability (α), hyperpolarizability (β) by employing quantum chemical methods. The new design and absorption wave length are calculated. These strategies of dyes has been proposed by the structural modification of indicate that the thiazole-based conjugated systems (CS2) π-spacers/conjugated systems (CS) and terminal acceptors offer relatively an effective way to improve NLO response. (TA). The quantum modeling and design is based on three This theoretical framework might be useful to design other phases; in every phase different π-spacer (CS1–CS2) with organic dyes in the field of electro-optics. * Muhammad Ramzan http://www.deepdyve.com/assets/images/DeepDyve-Logo-lg.png Journal of the Iranian Chemical Society Springer Journals

Nonlinear optical response of a series of small molecules: quantum modification of π-spacer and acceptor

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Publisher
Springer Journals
Copyright
Copyright © 2017 by Iranian Chemical Society
Subject
Chemistry; Analytical Chemistry; Inorganic Chemistry; Physical Chemistry; Biochemistry, general; Organic Chemistry
ISSN
1735-207X
eISSN
1735-2428
D.O.I.
10.1007/s13738-017-1141-x
Publisher site
See Article on Publisher Site

Abstract

J IRAN CHEM SOC (2017) 14:2041–2054 DOI 10.1007/s13738-017-1141-x ORIGINAL PAPER Nonlinear optical response of a series of small molecules: quantum modification of π‑spacer and acceptor 1,2 Muhammad Ramzan Saeed Ashraf Janjua Received: 16 January 2017 / Accepted: 12 May 2017 / Published online: 18 May 2017 © Iranian Chemical Society 2017 Abstract In this research article, a series of compounds the acceptors (TA1–TA5) are used around central quinoxa- have been designed to investigate the nonlinear opti- line group. DFT and TDDFT calculations are performed cal (NLO) response. The electronic structures, absorption to shed light on how structural modification influences the spectra and nonlinear optical response have been calculated NLO properties. Polarizability (α), hyperpolarizability (β) by employing quantum chemical methods. The new design and absorption wave length are calculated. These strategies of dyes has been proposed by the structural modification of indicate that the thiazole-based conjugated systems (CS2) π-spacers/conjugated systems (CS) and terminal acceptors offer relatively an effective way to improve NLO response. (TA). The quantum modeling and design is based on three This theoretical framework might be useful to design other phases; in every phase different π-spacer (CS1–CS2) with organic dyes in the field of electro-optics. * Muhammad Ramzan

Journal

Journal of the Iranian Chemical SocietySpringer Journals

Published: May 18, 2017

References

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