X-ray, IR, Raman and DFT study of new bifunctional ligand-1,10-phenanthroline-5,6-crown-12-O4

Détails

ID Serval
serval:BIB_D027979AD055
Type
Article: article d'un périodique ou d'un magazine.
Collection
Publications
Titre
X-ray, IR, Raman and DFT study of new bifunctional ligand-1,10-phenanthroline-5,6-crown-12-O4
Périodique
Journal of Molecular Structure
Auteur⸱e⸱s
Denisova A.S., Dem'yanchuk E.M., Starova G.L., Myund L.A., Makarov A.A., Simanova A.A.
ISSN-L
0022-2860
Statut éditorial
Publié
Date de publication
2007
Peer-reviewed
Oui
Volume
828
Pages
1-9
Langue
anglais
Résumé
The diffraction-quality crystals of the new bifunctional ligand
1,10-phenanthroline-5,6-crown-12-04 were grown and the crystal structure
of this compound was obtained. B3LYP method was used for the geometry
optimization, frequency analysis and IR and Raman intensities
calculation of 1,10-phenanthroline-5,6-crown-12-04 (phencrown) and its
parent 1,10-phenanthroline (Phen). The experimental IR and Raman spectra
of investigated solid samples were obtained and interpreted on the base
of the DFT calculations. (c) 2006 Elsevier B.V. All rights reserved.
Création de la notice
18/10/2012 20:43
Dernière modification de la notice
20/08/2019 15:50
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