Estimation of absorption spectral shifts of cyano biphenyl liquid crystals: An impact of different solvents and oxygen substitution

Praveen, P. Lakshmi

doi:10.1016/j.molliq.2021.117620

Cited by 13 publications

(5 citation statements)

References 31 publications

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“…The general and simple view typically entails the analysis of absorption bands. Widespread handling using various computational approaches offers an extensive depiction of the electronic states of the molecular complex and the transitions between them [ 37 – 39 ]. One main centre of attention of this perception is the distinctive absorption spectral aspect that occurs with respect to the inclusion of end chains.…”

Section: Methodsmentioning

confidence: 99%

UV light sensing and switching applications of dimeric smectic liquid crystals: comparative calculations

Das

Jose²,

Ghosh

et al. 2022

Eur. Phys. J. E

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Two dimeric smectic molecules, namely α - ω -bis (4- n -pentylanilinebenzylidene-4′-oxy) butane (PABO4) and α - ω -bis (4- n -pentylanilinebenzylidene-4′-oxy) pentane (PABO5), have been considered for sensing UV light. The compounds’ optimization process has been performed through B3LYP hybrid functional together with basis set 6-31+G (d) using the input parameters from the crystallographer. The absorption of UV analysis of these compounds has been estimated, and the configuration interaction single-level method has been used to analyse the electronic transition features coupled with the calculation of excited states using semi-empirical Hamiltonian ZINDO. The CNDO/S, INDO/S together with CI approaches, has been utilized for comparative evaluation. The spectral-associated parameters have been summarized. The molecules discussed in this manuscript present several features, viz. the absorption range of the molecules that is sensitive to different wavelengths, the usage in flexible devices, offering the prospect for UV sensors. Further, the switching applications have been explored based on the oscillator strength data in various regions of wavelengths. Graphical abstract

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Section: Methodsmentioning

confidence: 99%

UV light sensing and switching applications of dimeric smectic liquid crystals: comparative calculations

Das

Jose²,

Ghosh

et al. 2022

Eur. Phys. J. E

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“…For the FTIR and UV absorbance examinations, there are numerous pieces of literature available. [ 11–17 ]…”

Section: Introductionmentioning

confidence: 99%

“…For the FTIR and UV absorbance examinations, there are numerous pieces of literature available. [11][12][13][14][15][16][17] The constant need for novel anti-cancer medications has fueled metal-based chemotherapeutic research. [18] This method of drug development could result in less hazardous pharmaceuticals.…”

Section: Introductionmentioning

confidence: 99%

A Systematic Study and Biomedical Investigation on O‐Terphenyl Incorporated Copper(II) Chloride Crystal via Slow Evaporation Technique

Ponsankarar,

Srinivasan,

Vallinayagam

et al. 2024

Macromolecular Symposia

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Current research trends emphasize the need to characterize and analyze the biomedical applications and antibacterial/fungal activity and anticancer studies of O‐terphenyl incorporated copper (II) chloride (OTCC) single crystals by the method of slow evaporation. For this research, a brand‐new inorganic competitive coordination approach is used for crystal formation. As a result, single crystal X‐ray diffraction examination validated the growth of phase in the OTCC crystal. A powder X‐ray diffraction (PXRD) study confirmed the crystalline purity. Fourier transform infrared spectroscopy (FT‐IR) analysis is used to identify the functional groups of organic substances contained in the sample. This sample's optical transparency is assessed using a UV‐Vis‐NIR between 200 and 800 nm in wavelength. In these recent trends, emphasized chemically supported investigation into OTCC crystals and their antibacterial activity and anticancer activity against pathogens are revealed. The outcome of this work will be the effect of metal doping with organic‐based materials, which could be an important reliable weapon in the field of cancer treatment. Many researchers during recent years has done tremendous work exploring and developing drug designs, whereas attention has been drawn to metal‐based organic crystals, metal‐based crystals have the most effect on drug resistance and treat cancer cells. The biological efficacy of this crystal is tested, and it is discovered to have pharmacological qualities such as antibacterial and anticancer capabilities.

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“…This unique behavior makes isonitrile one of the most useful building blocks of "smart materials", such as photochromic complexes [6], supramolecular networks [7], and environmentally sensitive dyes [8]. Moreover, isocyano groups are isoelectronic to cyano groups and could substitute for them in specialty applications, such as liquid crystals [9,10].…”

Section: Introductionmentioning

confidence: 99%

“…Utilizing the strong electron withdrawing (EW) nature of the isonitrile group, Nagy et al recently developed a novel class of push-pull fluorophores, where the isocyanide group isoelectronic to cyano groups and could substitute for them in specialty applications, such as liquid crystals [9,10].…”

Section: Introductionmentioning

confidence: 99%

Preparation and Optical Study of 1-Formamido-5-Isocyanonaphthalene, the Hydrolysis Product of the Potent Antifungal 1,5-Diisocyanonaphthalene

Kopcsik

Mucsi

Kontra

et al. 2023

IJMS

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Aromatic isocyanides have gained a lot of attention lately as promising antifungal and anticancer drugs, as well as high-performance fluorescent analytical probes for the detection of toxic metals, such as mercury, even in vivo. Since this topic is relatively new and aromatic isocyanides possess unique photophysical properties, the understanding of structure–behavior relationships and the preparation of novel potentially biologically active derivatives are of paramount importance. Here, we report the photophysical characterization of 1,5-diisocyanonaphthalene (DIN) backed by quantum chemical calculations. It was discovered that DIN undergoes hydrolysis in certain solvents in the presence of oxonium ions. By the careful control of the reaction conditions for the first time, the nonsymmetric product 1-formamido-5-isocyanonaphthalene (ICNF) could be prepared. Contrary to expectations, the monoformamido derivative showed a significant solvatochromic behavior with a ~50 nm range from hexane to water. This behavior was explained by the enhanced H-bond-forming ability of the formamide group. The significance of the hydrolysis reaction is that the isocyano group is converted to formamide in living organisms. Therefore, ICNF could be a potential drug (for example, antifungal) and the reaction can be used as a model for the preparation of other nonsymmetric formamido–isocyanoarenes. In contrast to its relative 1-amino-5-iscyanonaphthalene (ICAN), ICNF is highly fluorescent in water, enabling the development of a fluorescent turnoff probe.

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Estimation of absorption spectral shifts of cyano biphenyl liquid crystals: An impact of different solvents and oxygen substitution

Cited by 13 publications

References 31 publications

UV light sensing and switching applications of dimeric smectic liquid crystals: comparative calculations

UV light sensing and switching applications of dimeric smectic liquid crystals: comparative calculations

A Systematic Study and Biomedical Investigation on O‐Terphenyl Incorporated Copper(II) Chloride Crystal via Slow Evaporation Technique

Preparation and Optical Study of 1-Formamido-5-Isocyanonaphthalene, the Hydrolysis Product of the Potent Antifungal 1,5-Diisocyanonaphthalene

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