Enhanced molecular first hyperpolarizability in s-triazine derivatives: Combined experimental and computational studies

Kolupula Srinivas; Ch Prabhakar; Sanyasi Sitha; K. Bhanuprakash; V. Jayathirtha Rao

doi:10.1016/j.molstruc.2014.05.061

Enhanced molecular first hyperpolarizability in s-triazine derivatives: Combined experimental and computational studies

Kolupula Srinivas, Ch Prabhakar, Sanyasi Sitha, K. Bhanuprakash, V. Jayathirtha Rao

Chemical Sciences

Research output: Contribution to journal › Article › peer-review

15 Citations (Scopus)

Abstract

Molecular first hyperpolarizabilities (nonlinear optical responses) of selected s-triazine based heteroaromatic molecules are determined using experimental methods. A large enhancement in nonlinear optical response, in spite of a relatively weak donor-acceptor system, is observed. We have carried out a detailed analysis using computational chemistry techniques to account for this behavior.

Original language	English
Pages (from-to)	118-123
Number of pages	6
Journal	Journal of Molecular Structure
Volume	1075
DOIs	https://doi.org/10.1016/j.molstruc.2014.05.061
Publication status	Published - 5 Oct 2014

Keywords

First hyperpolarizability
NLO
Triazine

ASJC Scopus subject areas

Analytical Chemistry
Spectroscopy
Organic Chemistry
Inorganic Chemistry

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10.1016/j.molstruc.2014.05.061

Cite this

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title = "Enhanced molecular first hyperpolarizability in s-triazine derivatives: Combined experimental and computational studies",

abstract = "Molecular first hyperpolarizabilities (nonlinear optical responses) of selected s-triazine based heteroaromatic molecules are determined using experimental methods. A large enhancement in nonlinear optical response, in spite of a relatively weak donor-acceptor system, is observed. We have carried out a detailed analysis using computational chemistry techniques to account for this behavior.",

keywords = "First hyperpolarizability, NLO, Triazine",

author = "Kolupula Srinivas and Ch Prabhakar and Sanyasi Sitha and K. Bhanuprakash and \{Jayathirtha Rao\}, V.",

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T2 - Combined experimental and computational studies

AU - Srinivas, Kolupula

AU - Prabhakar, Ch

AU - Sitha, Sanyasi

AU - Bhanuprakash, K.

AU - Jayathirtha Rao, V.

PY - 2014/10/5

Y1 - 2014/10/5

N2 - Molecular first hyperpolarizabilities (nonlinear optical responses) of selected s-triazine based heteroaromatic molecules are determined using experimental methods. A large enhancement in nonlinear optical response, in spite of a relatively weak donor-acceptor system, is observed. We have carried out a detailed analysis using computational chemistry techniques to account for this behavior.

AB - Molecular first hyperpolarizabilities (nonlinear optical responses) of selected s-triazine based heteroaromatic molecules are determined using experimental methods. A large enhancement in nonlinear optical response, in spite of a relatively weak donor-acceptor system, is observed. We have carried out a detailed analysis using computational chemistry techniques to account for this behavior.

KW - First hyperpolarizability

KW - NLO

KW - Triazine

UR - https://www.scopus.com/pages/publications/84904550257

U2 - 10.1016/j.molstruc.2014.05.061

DO - 10.1016/j.molstruc.2014.05.061

M3 - Article

AN - SCOPUS:84904550257

SN - 0022-2860

VL - 1075

SP - 118

EP - 123

JO - Journal of Molecular Structure

JF - Journal of Molecular Structure

ER -

Enhanced molecular first hyperpolarizability in s-triazine derivatives: Combined experimental and computational studies

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

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