Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F00216208%3A11310%2F13%3A10139615" target="_blank" >RIV/00216208:11310/13:10139615 - isvavai.cz</a>
Result on the web
<a href="http://dx.doi.org/10.1016/j.saa.2013.03.001" target="_blank" >http://dx.doi.org/10.1016/j.saa.2013.03.001</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1016/j.saa.2013.03.001" target="_blank" >10.1016/j.saa.2013.03.001</a>
Alternative languages
Result language
angličtina
Original language name
Ultrafast optical nonlinearity, electronic absorption, vibrational spectra and solvent effect studies of ninhydrin
Original language description
FT-IR, FT-Raman and UV-Vis spectra of the nonlinear optical molecule ninhydrin have been recorded and analyzed. The equilibrium geometry, bonding features, and harmonic vibrational wavenumbers have been investigated with the help of B3LYP density functional theory method. A detailed interpretation of the vibrational spectra is carried out with the aid of normal coordinate analysis following the scaled quantum mechanical force field methodology. Solvent effects have been calculated using time-dependent density functional theory in combination with the polarized continuum model. Natural bond orbital analysis confirms the occurrence of strong intermolecular hydrogen bonding in the molecule. Employing the open-aperture z-scan technique, nonlinear optical absorption of the sample has been studied in the ultrafast and short-pulse excitation regimes, using 100 fs and 5 ns laser pulses respectively. It is found that ninhydrin exhibits optical limiting for both excitations, indicating potential
Czech name
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Czech description
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Classification
Type
J<sub>x</sub> - Unclassified - Peer-reviewed scientific article (Jimp, Jsc and Jost)
CEP classification
CF - Physical chemistry and theoretical chemistry
OECD FORD branch
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Result continuities
Project
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Continuities
Z - Vyzkumny zamer (s odkazem do CEZ)<br>I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2013
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy
ISSN
1386-1425
e-ISSN
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Volume of the periodical
109
Issue of the periodical within the volume
květen
Country of publishing house
GB - UNITED KINGDOM
Number of pages
13
Pages from-to
331-343
UT code for WoS article
000318835400044
EID of the result in the Scopus database
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