CONFERENCE PROCEEDINGS
Advanced Search
Home > Proceedings > Volume 12193 > Article
Paper
29 April 2022 Quantum mechanical model and vibrational spectra of cottonseed oil
K. V. Berezin, K. N. Dvoretsky, E. M. Antonova, E. T. Shagautdinova, E. V. Grabarchuk, A. M. Likhter, M. Yu. Puchkov, E. G. Loktionova
Author Affiliations +
Proceedings Volume 12193, Laser Physics, Photonic Technologies, and Molecular Modeling; 121930T (2022) https://doi.org/10.1117/12.2626008
Event: XXV Annual Conference Saratov Fall Meeting 2021; and IX Symposium on Optics and Biophotonics, 2021, Saratov, Russian Federation
Abstract
Vibrational IR spectrum in the area (900-4000 cm-1) and Raman spectrum in the area (600-1900 cm-1) of cold-pressed cottonseed oil were recorded. Structural and dynamic models of fatty acids, including linoleic, oleic, palmitic, stearic acids and their triglycerides as well as gossypol molecules, were calculated using the DFT/B3LYP/6-31G(d) method. Theoretical IR and Raman spectra of cottonseed oil are constructed and the experimental spectra are interpreted in detail. The application of vibrational spectroscopy for percentage determination of gossypol content in cottonseed oil is discussed.
© (2022) COPYRIGHT Society of Photo-Optical Instrumentation Engineers (SPIE). Downloading of the abstract is permitted for personal use only.
Citation Download Citation
K. V. Berezin, K. N. Dvoretsky, E. M. Antonova, E. T. Shagautdinova, E. V. Grabarchuk, A. M. Likhter, M. Yu. Puchkov, and E. G. Loktionova "Quantum mechanical model and vibrational spectra of cottonseed oil", Proc. SPIE 12193, Laser Physics, Photonic Technologies, and Molecular Modeling, 121930T (29 April 2022); https://doi.org/10.1117/12.2626008
ACCESS THE FULL ARTICLE
ORGANIZATIONAL
Sign in with credentials provided by your organization.
INSTITUTIONAL
Select your institution to access the SPIE Digital Library.
SELECT YOUR INSTITUTION
PERSONAL
Sign in with your SPIE account to access your personal subscriptions or to use specific features such as save to my library, sign up for alerts, save searches, etc.
PERSONAL SIGN IN
No SPIE Account? Create one
;
PURCHASE THIS CONTENT
SUBSCRIBE TO DIGITAL LIBRARY
50 downloads per 1-year subscription
Members: $195
Non-members: $335 ADD TO CART
25 downloads per 1 - year subscription
Members: $145
Non-members: $250 ADD TO CART
PURCHASE SINGLE ARTICLE
Includes PDF, HTML & Video, when available
Members: $17.00
Non-members: $21.00 ADD TO CART
PROCEEDINGS
 6 PAGES
DOWNLOAD PAPER SAVE TO MY LIBRARY
GET CITATION
Advertisement
Advertisement
RIGHTS & PERMISSIONS
Get copyright permission  Get copyright permission on Copyright Marketplace
KEYWORDS
Raman spectroscopy
Molecules
Infrared spectroscopy
Modeling
Spectroscopy
RELATED CONTENT
Subscribe to Digital Library
Receive Erratum Email Alert
Back to Top