Investigation of linear and microscopic nonlinear optical responses of 1-indanone compounds in different environments based on polarity models

Investigation of linear and microscopic nonlinear optical responses of 1-indanone compounds in different environments based on polarity models

Molecular spectroscopic and nonlinear features can indicate positive changes by solvent molecules. In this work, DFT and spectroscopic techniques were used to study the polarity effects of different solvent environments. Polarity-based models were used for studying solvent induced interactions on th...

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Bibliographic Details
Published in:Scientific reports Vol. 14; no. 1; pp. 26559 - 21
Main Authors: Khadem Sadigh, Mahsa, Sayyar, Z., Shamkhali, A. N., Teimuri-Mofrad, R., Rahimpour, K.
Format: Journal Article
Language:English
Published: London Nature Publishing Group UK 04-11-2024
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Subjects:
631/136
631/45
631/57
639/638
639/766
Biomolecules
Chemistry
Environment
Environmental effects
Humanities and Social Sciences
Hydrogen bonding
Hydrogen bonds
Investigations
Molecular modelling
multidisciplinary
Nonlinear optics
Nonlinear systems
Older people
Optical properties
Optics
Polarity
Science
Science (multidisciplinary)
Solvents
Biomolecules
Environment
Polarity
Nonlinear optics
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Summary:Molecular spectroscopic and nonlinear features can indicate positive changes by solvent molecules. In this work, DFT and spectroscopic techniques were used to study the polarity effects of different solvent environments. Polarity-based models were used for studying solvent induced interactions on the optical features of new groups of biomolecules. Despite the significant contribution of general effects on the molecular absorption spectra, there is considerable competition between general and specific environmental effects on the molecular emission properties. Under this condition, strong hydrogen bonds tend to increase molecular nonlinear responses. The same results were observed for the low order (first and second order) nonlinearity of biomolecules. Therefore, the studies on the environment effects on the biomolecules’ first order nonlinearity can give valuable information about higher-order optical responses. Moreover, 1-Indanone compounds with high nonlinearity can be considered as an effective element in designing optical devices.
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ISSN:2045-2322
2045-2322
DOI:10.1038/s41598-024-78194-9