Raman Optical Activity of Glucose and Sorbose in Extended Wavenumber Range
The result's identifiers
Result code in IS VaVaI
<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F61388963%3A_____%2F20%3A00524982" target="_blank" >RIV/61388963:_____/20:00524982 - isvavai.cz</a>
Alternative codes found
RIV/61989592:15310/20:73601072
Result on the web
<a href="https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cphc.202000261" target="_blank" >https://chemistry-europe.onlinelibrary.wiley.com/doi/full/10.1002/cphc.202000261</a>
DOI - Digital Object Identifier
<a href="http://dx.doi.org/10.1002/cphc.202000261" target="_blank" >10.1002/cphc.202000261</a>
Alternative languages
Result language
angličtina
Original language name
Raman Optical Activity of Glucose and Sorbose in Extended Wavenumber Range
Original language description
Raman optical activity (ROA) is pursued as a promising method for structural analyses of sugars in aqueous solutions. In the present study, experimental Raman and ROA spectra of glucose and sorbose obtained in an extended range (50–4000 cm−1) are interpreted using molecular dynamics and density functional theory, with the emphasis on CH stretching modes. A reasonable theoretical basis for spectral interpretation was obtained already at the harmonic level. Anharmonic corrections led to minor shifts of band positions (up to 25 cm−1) below 2000 cm−1, while the CH stretching bands shifted more, by ∼180 cm−1, and better reproduced the experiment. However, the anharmonicities could be included on a relatively low approximation level only, and they did not always improve the harmonic band shapes. The dependence on the structure and conformation shows that the CH stretching ROA spectral pattern is a sensitive marker useful in saccharide structure studies.
Czech name
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Czech description
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Classification
Type
J<sub>imp</sub> - Article in a specialist periodical, which is included in the Web of Science database
CEP classification
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OECD FORD branch
10403 - Physical chemistry
Result continuities
Project
Result was created during the realization of more than one project. More information in the Projects tab.
Continuities
I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace
Others
Publication year
2020
Confidentiality
S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů
Data specific for result type
Name of the periodical
ChemPhysChem
ISSN
1439-4235
e-ISSN
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Volume of the periodical
21
Issue of the periodical within the volume
12
Country of publishing house
DE - GERMANY
Number of pages
8
Pages from-to
1272-1279
UT code for WoS article
000535052800001
EID of the result in the Scopus database
2-s2.0-85085570971