First principles study of electronic and nonlinear optical properties of A–D–π–A and D–A–D–π–A configured compounds containing novel quinoline–carbazole …

M Khalid, A Ali, R Jawaria, MA Asghar, S Asim… - RSC …, 2020 - pubs.rsc.org
Materials with nonlinear optical (NLO) properties have significant applications in different
fields, including nuclear science, biophysics, medicine, chemical dynamics, solid physics …

First theoretical framework of triphenylamine–dicyanovinylene-based nonlinear optical dyes: structural modification of π-linkers

MU Khan, M Khalid, M Ibrahim… - The Journal of …, 2018 - ACS Publications
This work was inspired by a previous report [Janjua, MRSA Inorg. Chem. 2012, 51, 11306−
11314] in which the nonlinear optical (NLO) response strikingly improved with double …

[HTML][HTML] Theoretical investigation of nonlinear optical behavior for rod and T-Shaped phenothiazine based D-π-A organic compounds and their derivatives

MU Khan, M Khalid, I Shafiq, RA Khera, Z Shafiq… - Journal of Saudi …, 2021 - Elsevier
The exploration of novel materials with excellent nonlinear optical (NLO) features is an area
of frontline investigation for scientific community from technological point of view. This study …

First theoretical probe for efficient enhancement of optical nonlinearity via structural modifications into phenylene based D–π–A configured molecules

M Khalid, S Naz, K Mahmood, S Hussain, AAC Braga… - RSC …, 2022 - pubs.rsc.org
The design of nonlinear optical (NLO) materials using conjugated molecules via different
techniques is reported in the literature to boost the use of these systems in NLO. Therefore …

Influence of end-capped modifications in the nonlinear optical amplitude of nonfullerene-based chromophores with a D− π–A architecture: a DFT/TDDFT study

M Khalid, M Zafar, S Hussain, MA Asghar, RA Khera… - ACS …, 2022 - ACS Publications
Nonlinear optical (NLO) materials have several uses in many fields such as solid physics,
biology, medicine, nuclear physics, and material research. Therefore, a series of …

Pyrene-based chemosensor for picric acid—fundamentals to smartphone device design

A Kathiravan, A Gowri, T Khamrang… - Analytical …, 2019 - ACS Publications
Developing a fluorescent probe for the selective and sensitive detection of explosives is a
topic of continuous research interest. Additionally, underlying the principles behind the …

[HTML][HTML] Influence of acceptor tethering on the performance of nonlinear optical properties for pyrene-based materials with A-π-D-π-D architecture

MU Khan, M Khalid, RA Khera, MN Akhtar… - Arabian Journal of …, 2022 - Elsevier
In this study, we designed a series of pyrene-based donor-π-donor-π-acceptor compounds
(HPTC1-HPTC7) by structural tailoring the reference compound (HPTC) using acceptor …

A theoretical approach towards designing of banana shaped non-fullerene chromophores using efficient acceptors moieties: Exploration of their NLO response …

M Khalid, S Naseer, MS Tahir, I Shafiq… - Optical and Quantum …, 2023 - Springer
Current research has focused on utilization of non-fullerene based organic materials for the
advancement of nonlinear optical (NLO) based technology. The reference compound …

Pyrene based Schiff bases: Synthesis, crystal structure, antibacterial and BSA binding studies

V Srinivasan, T Khamrang, C Ponraj… - Journal of Molecular …, 2021 - Elsevier
Two novel pyrene-based Schiff base compounds 4-[(5-pyren-1-yl-thiophen-2-ylmethylene)-
amino]-phenol (KSB-1) and 4-[(4-pyren-1-yl-benzylidene)-amino]-phenol (KSB-2) were …

Exploration of Nonlinear Optical Properties for the First Theoretical Framework of Non-Fullerene DTS(FBTTh2)2-Based Derivatives

MU Khan, S Hussain, MA Asghar, KS Munawar… - ACS …, 2022 - ACS Publications
Organic compounds having significant nonlinear optical (NLO) applications are being
employed in the optoelectronics field. In the current work, a series of non-fullerene acceptor …