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Structure and Raman spectra of pyridyl substituted diketo-pyrrolo-pyrrole isomers and polymorphs

SYSNO ASEP	0350261
Document Type	J - Journal Article
R&D Document Type	Journal Article
Subsidiary J	Článek ve WOS
Title	Structure and Raman spectra of pyridyl substituted diketo-pyrrolo-pyrrole isomers and polymorphs
Author(s)	Luňák jr., S. (CZ) Vyňuchal, J. (CZ) Horáčková, P. (CZ) Frumarová, Božena (UMCH-V)_RID Žák, Z. (CZ) Kučerík, J. (CZ) Salyk, O. (CZ)
Number of authors	7
Source Title	Journal of Molecular Structure. - : Elsevier - ISSN 0022-2860 Roč. 983, 1-3 (2010), s. 39-47
Number of pages	9 s.
Language	eng - English
Country	NL - Netherlands
Keywords	diketo-pyrrolo-pyrrole ; density functional theory ; Raman spectra
Subject RIV	CC - Organic Chemistry
CEZ	AV0Z40500505 - UMCH-V (2005-2011)
UT WOS	000284441400007
DOI	10.1016/j.molstruc.2010.08.026
Annotation	A complete series of symmetrical and unsymmetrical isomeric pairs of 4-and 2-pyridyl substitured diketo-pyrrolo-pyrroles was synthesized. Both polymorphs of 3,6- bis-(-40-pyrisyl)-2,5-dihydro-pyrrolo(3,4-c) pyrrole-1,4-dione were prepared. Asymmetrical 3-phenyl-6-pyridine-20-yl-2,5-dihydro-pyrrolo (3,4)pyrrole-1,4-dione was synthesized for the first time. Density functional theory calculations of the ground state geometry were compared with experimental X-ray diffraction data. Theoretical Raman spectra enabled to assign the main peaks of the expeerimental ones for all four pyridyl DPP derivatives.
Workplace	Institute of Macromolecular Chemistry
Contact	Eva Čechová, cechova@imc.cas.cz ; Tel.: 296 809 358
Year of Publishing	2011

Number of the records: 1