Solvatochromism and reversible solvent exchange phenomena in solvatomorphic organic chromophore crystals

KK Jha, A Kumar, P Munshi - Crystal Growth & Design, 2023 - ACS Publications
Solvatomorphs or solvates are common in pharmaceutical compounds, and
solvatochromism is often reported in solution. The present study reports eight solvates of (Z) …

Tuning of Interfacial Charge Transport in Organic Heterostructures via Aryl Electrografting for Efficient Gas Sensors

A Kumar, ID Nwosu, R Meunier-Prest… - … Applied Materials & …, 2024 - ACS Publications
Modulation of interfacial conductivity in organic heterostructures is a highly promising
strategy to improve the performance of electronic devices. In this endeavor, the present work …

Synthesis, spectroscopic, optical, thermal and mechanical characterization of nonlinear proline oxalate single-crystals

S Akilandeswari, L Jothi, WF Elkhatib, E Fayad… - Optical and Quantum …, 2023 - Springer
Proline is a quite-recognized nonlinear optical material for different optoelectronics
purposes. The present study investigates a single-crystal of proline doped with oxalic acid in …

Discerning the Impact of Noncovalent Interactions via Simulated Crystal Growth: A Structural Study of Aromatic Esters

M Boucher, SA Bellia, A Howarth, A Collart… - Crystal Growth & …, 2024 - ACS Publications
The synthesis and structural characterization of seven systematically varied aromatic esters
are reported. The compounds are analyzed using single-crystal X-ray diffraction, dynamic …

Using density functional theory to correlate charge transport properties with gas sensing by organic nanowires

D Chakraborty, V Kumar, SM Kamil… - ACS Applied Nano …, 2021 - ACS Publications
Organic semiconductor based gas sensors have several advantages over their inorganic
counterparts. However, despite the advantages organic gas sensors are far behind the …

Probing Diversity in Binding Affinities of Polymorphs of an Anticancer Agent against Human γ-Enolase: A Quantum Crystallographic Perspective

A Kumar, B Mohanty, P Munshi - Crystal Growth & Design, 2022 - ACS Publications
Functions of a biological system are governed by a molecular recognition process which
may turn baffling in the case of polymorphic drugs with distinct modes of action. To examine …

Supramolecular assembly governed by tetrel, CN⋅⋅⋅ π and other weak noncovalent interactions in two acrylonitrile derivatives with D-π-A topology: Crystallography …

E Pérez-Gutiérrez, M Udayakumar, P Ceballos… - Journal of Molecular …, 2025 - Elsevier
Two D-π-A acrylonitriles,(Z)-3-(4-methoxyphenyl)-2-(pyridin-4-yl) acrylonitrile (1) and (Z)-3-
(4-piperidin-1-yl)-2-(pyridin-4-yl) acrylonitrile (2), were synthesized to investigate how the …

Correlation between structural and optical properties of π-conjugated acrylonitrile derivatives: Insights from X-ray, energy frameworks, TD-DFT and charge density …

M Udayakumar, M Cerón, P Ceballos… - Journal of Molecular …, 2020 - Elsevier
Abstract The 2/3/4-pyridyl substituents incorporated into a π-conjugated acrylonitrile system
have been synthesized and X-ray structure analysis of two of the isomers (Z)-3-(4-pyridin …

[PDF][PDF] The critical role of molecular nanomorphology on organic semiconductor devices

S Limbu - 2020 - core.ac.uk
Organic semiconductors have a huge potential for low cost, scalable, lightweight, flexible,
and semi-transparent electronic devices; which can revolutionize the semiconductor device …