Conformational States of the Spiropyran Molecule
Joint Authors
Kovalenko, Olha
Kondratenko, Petro
Lopatkin, Yuriy
Source
International Journal of Photoenergy
Issue
Vol. 2015, Issue 2015 (31 Dec. 2015), pp.1-7, 7 p.
Publisher
Hindawi Publishing Corporation
Publication Date
2015-07-02
Country of Publication
Egypt
No. of Pages
7
Main Subjects
Abstract EN
The form of the potential surface of the ground state was investigated on the basis of indoline spiropyran.
As a result of this work the rotamers of an open-ring form of the spiropyran molecule were discovered, and the existence of the most probable rotamers was justified.
The 3D potential surface of the ground state of the spiropyran molecule was built.
The route of the isomerization of the molecule was discovered and values of barriers for this reaction were found.
The part of the isomerization route that is responsible for changing the hybridization of spiroatom from sp3 to sp2 was found.
American Psychological Association (APA)
Kovalenko, Olha& Kondratenko, Petro& Lopatkin, Yuriy. 2015. Conformational States of the Spiropyran Molecule. International Journal of Photoenergy،Vol. 2015, no. 2015, pp.1-7.
https://search.emarefa.net/detail/BIM-1066382
Modern Language Association (MLA)
Kovalenko, Olha…[et al.]. Conformational States of the Spiropyran Molecule. International Journal of Photoenergy No. 2015 (2015), pp.1-7.
https://search.emarefa.net/detail/BIM-1066382
American Medical Association (AMA)
Kovalenko, Olha& Kondratenko, Petro& Lopatkin, Yuriy. Conformational States of the Spiropyran Molecule. International Journal of Photoenergy. 2015. Vol. 2015, no. 2015, pp.1-7.
https://search.emarefa.net/detail/BIM-1066382
Data Type
Journal Articles
Language
English
Notes
Includes bibliographical references
Record ID
BIM-1066382
