Disappearance of the Nematic Phase of 2,5-Disubsituted Pyridine Derivatives by Changing the Position of the Nitrogen: A Quantum Mechanical Explanation

Roychoudhury, Mihir; Thakur, Shailendar Kumar

doi:10.1080/15421406.2011.591673

Cited by 3 publications

(2 citation statements)

References 12 publications

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“…There are many ways to control the physical properties of the molecular systems, for example, to introduce various polar and nonpolar groups in terminal positions and to vary the side chain in molecular systems [6]. Such a modification affects the interaction energies of interacting molecular systems.…”

Section: Introductionmentioning

confidence: 99%

“…These pyridine derivatives have variety of core and chain lengths. V. F. Petrove et al [6] have produced a large number of 2, 5 di-substituted pyridine molecular systems with a variety of phase sequences, and four specific types have been selected, 4-butyl-(5-cyclohexane)-2-methyl pyridine (Pd-1), 4-hexane-1-4-di-nitro-4-cyclohexane-1-butoxy-4-phenyl(Pd-2), 4-hexane-1-nitro-4-Cyclohexene-1-butoxy-phenyl (Pd-3), and 5-hexane 1-3-di-nitro-4-phenyl-1-butoxyphenyl (Pd-4) in brackets is the short name of the different compounds used throughout this paper. These compounds are very suitable to study about physics of mesophase formation.…”

Section: Introductionmentioning

confidence: 99%

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The Phase Morphology of 2,5 DI-Substituted Pyridine Derivatives: A Quantum Mechanical Analysis

Thakur

2013

Molecular Crystals and Liquid Crystals

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A comparative analysis of some mesogenic and nonmesogenic molecules of 2, 5 disubstituted pyridine derivatives molecules has been carried out. The multicenter multipole expansion method is used to obtain the various interaction energy terms. The phase morphology of the mesogenic molecular system has been further investigated with the aid of various energy terms of configurations. The multicenter multipole expansion method is satisfactory and predicts the mesogenic behavior of molecular systems.

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Section: Introductionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

The Phase Morphology of 2,5 DI-Substituted Pyridine Derivatives: A Quantum Mechanical Analysis

Thakur

2013

Molecular Crystals and Liquid Crystals

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A Comparison of Pair Potential for Some Polar and Non-Polar Mesogenic Molecules

Thakur

Roychoudhury

2012

Molecular Crystals and Liquid Crystals

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Observation of Induced Luminescence and Thermochromism in Achiral Hydrogen Bonded Liquid Crystal Complexes

Ramya¹,

Balasubramanian²,

Jayaprakasam

et al. 2020

Zeitschrift Für Physikalische Chemie

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A novel hydrogen bonded liquid crystal (HBLC) complexes are obtained from the non-mesogenic (benzylmalonic acid) and mesogenic (p-n-alkyloxybenzoic acid, where n = 6, 7 and 8) compound via intermolecular hydrogen bonds (H-bond). H-bonds are experimentally confirmed by the Fourier transform infrared spectroscopic (FT-IR) studies and the same is validated using density functional theory (DFT). Induced thermochromism is observed by the polarizing optical microscope (POM) and its possible applications are reported. Phase transition temperature and their analogous enthalpy values, stability factor and span width are determined by the differential scanning calorimetry (DSC) studies. Band gap energy is calculated using UV-visible and photoluminescence spectrum. Hyper conjugative stabilization energy and atomic charge distribution is studied by the natural bond orbital (NBO) studies. Mulliken analysis clearly reveals the intermolecular interaction and steric effect of the HBLC complexes. An interesting phenomenon is that the observation of luminescence and thermochromism in the highly fluidity nematic phase. This peculiar behavior is attributed due to the intermolecular H-bonding interaction between the BMA and nOBA compounds and the effect of rotatory motion of the molecules in nematic phase. Luminescence increases when the spacer moiety decreases in the present complexes is also reported. In nematic phase, the molecules are in different degrees of the excited state which is correlated with the hyper conjugative energy through NBO studies.

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Disappearance of the Nematic Phase of 2,5-Disubsituted Pyridine Derivatives by Changing the Position of the Nitrogen: A Quantum Mechanical Explanation

Cited by 3 publications

References 12 publications

The Phase Morphology of 2,5 DI-Substituted Pyridine Derivatives: A Quantum Mechanical Analysis

The Phase Morphology of 2,5 DI-Substituted Pyridine Derivatives: A Quantum Mechanical Analysis

A Comparison of Pair Potential for Some Polar and Non-Polar Mesogenic Molecules

Observation of Induced Luminescence and Thermochromism in Achiral Hydrogen Bonded Liquid Crystal Complexes

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