Unsymmetrical coumarin-biphenyl hybrids: Self-assembling behaviour and DFT investigations

R Soni, KJ Nakum, KD Katariya, S Nada… - Journal of Molecular …, 2024 - Elsevier
A series of new unsymmetrical coumarin-biphenyl hybrid [1, 1′-biphenyl]-4-yl (E)-4-(((7-
alkyloxy-2-oxo-2H-chromen-3-yl) imino) methyl) benzoates, BPCE-(2–18) self-assembling …

Terminal methylene biphenyl derived coumarin Schiff base-esters: Synthesis, mesomorphic behaviour and DFT investigations

R Soni, KJ Nakum, KD Katariya, S Nada… - Journal of Molecular …, 2024 - Elsevier
In the present investigation new unsymmetrical coumarin-methylene biphenyl MBPCE-(2–
16) mesogens were designed and synthesized. Methylene biphenyl end group at one end of …

[HTML][HTML] The influence of bromine substitution and linking groups on the phase behaviour of light-responsive rod-like molecules

M Alaasar, T Nirgude, C Anders - Journal of Molecular Liquids, 2024 - Elsevier
The effect of aromatic core bromination as well as different linking groups on the phase
behaviour of light-responsive rod-like liquid crystalline materials is reported. For this …

Biphenyl Benzoate Derived Polymorphic Self-Assembling Chalcones: Influence of Mesogenic Core Variations And Terminal Alkyl Chains

R Soni, KJ Nakum, D Patel, S Zargar, TA Wani… - Journal of Molecular …, 2024 - Elsevier
The construction of multifunctional molecular self-assembly is one of the fascinating areas of
current research. Herein we reported a series of biphenyl benzoate derived mesogenic …

Asymmetric naphthalene centred bis-ester Schiff base: Self-assembling behaviour and DFT approach

R Soni, KJ Nakum, VS Sharma, TA Wani… - Journal of Molecular …, 2024 - Elsevier
Abstract New asymmetric 2, 6-disubstituted naphthalene embedded Schiff base-bis esters
NEKE-(2–18) synthesized and investigated for their mesomorphic behaviour. One end of …

New Molecularly Flexible Self-Assembling Benzothiadiazole Derivatives: Mesomorphism And DFT Investigations

R Soni, KJ Nakum, K Katariya, SAA Bishr… - Journal of Molecular …, 2025 - Elsevier
In the present study, we have synthesized symmetric/unsymmetrical BTD embedded self-
assembling molecules and investigated for their mesomorphic properties. Two symmetrical …

Biphenyls embedded Schiff base-bis esters: self-assembling behaviour, impact of additional aromatic ring and ester linkage and their DFT investigations

R Soni, KJ Nakum, KD Katariya, M Gergis… - Liquid …, 2024 - Taylor & Francis
In the present investigation, two series of biphenyl embedded Schiff base-bis esters alkyl-(E)-
4-(((4'-(decyloxy)-[1, 1'-biphenyl]-4-yl) methylene) amino)-benzoate, BPK-(2–18) and alkyl …

Biphenyl based schiff base derivatives of 6-aminocoumarin: Design, synthesis, mesomorphic properties and DFT studies

K Katariya, J Patil, K Nakum, S Nada, M Hagar… - Journal of Molecular …, 2024 - Elsevier
The study focused on synthesizing two series of coumarin Schiff base liquid crystals. These
series involved molecules with variations in alkoxy chains at aldehyde ends: one being the …

Synthesis of new multi-functionalized Schiff base derivatives based on vanillic acid: Antimicrobial activity, photophysical, DFT calculations and in-silico study

BB Makwana, PN Chauhan, HA Parmar, M Mori… - Journal of Molecular …, 2025 - Elsevier
The paper reports the synthesis of novel multi-functional Schiff base derivatives (S1-S7) via
Steglich esterification, thoroughly characterized by standard spectroscopic methods (1 H …

A Computational Study on 1, 4-Benzodioxane-Substituted Chalcone Derivative

S Serin - … Journal of Mathematics, Engineering, Natural & …, 2023 - euroasiajournal.org
Özet In this present study, a benzodioxane substituted chalcone derivative was investigated
in aqueous solution and gas phase using calculations based on density functional theory …