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 of the Iranian Chemical Society – Springer Journals
Published: May 18, 2017
It’s your single place to instantly
discover and read the research
that matters to you.
Enjoy affordable access to
over 18 million articles from more than
15,000 peer-reviewed journals.
All for just $49/month
Query the DeepDyve database, plus search all of PubMed and Google Scholar seamlessly
Save any article or search result from DeepDyve, PubMed, and Google Scholar... all in one place.
Get unlimited, online access to over 18 million full-text articles from more than 15,000 scientific journals.
Read from thousands of the leading scholarly journals from SpringerNature, Elsevier, Wiley-Blackwell, Oxford University Press and more.
All the latest content is available, no embargo periods.
“Hi guys, I cannot tell you how much I love this resource. Incredible. I really believe you've hit the nail on the head with this site in regards to solving the research-purchase issue.”Daniel C.
“Whoa! It’s like Spotify but for academic articles.”@Phil_Robichaud
“I must say, @deepdyve is a fabulous solution to the independent researcher's problem of #access to #information.”@deepthiw
“My last article couldn't be possible without the platform @deepdyve that makes journal papers cheaper.”@JoseServera