0000000001302920

AUTHOR

U. Stalmach

showing 5 related works from this author

Vibrational spectra and DFT calculations of PPV-oligomers

2003

The first two members of the p-phenylenevinylene- oligomer family (i. e. 1, 4-distyrylbenzene [DSB] and 4, 4'-distyrylstilbene [DSS]) were synthesized and their infrared and Raman spectra recorded and empirically assigned. Molecular geometries were optimized for the planar point group (C2h) by the density functional theory (DFT) method using the B3LYP functional and 6-31G* basis set. Calculations of vibrational spectra, including intensities, were carried out subsequently using the DFT method with the same basis set and linear scaling was applied. Calculated vibrational wavenumbers are in a fair agreement with our own experimental spectra. In order to explore changes in vibrational dynamics…

ChemistryInfraredOrganic ChemistryAnalytical chemistryPotential energyMolecular physicsHot bandAnalytical ChemistryInorganic Chemistrysymbols.namesakeMolecular geometryNormal modesymbolsDensity functional theoryPhysics::Chemical Physicsp-Phenylenevinylenes ; PPV ; Vibrational analysis ; Density functional theory ; Potential energy distributionRaman spectroscopySpectroscopyBasis setJournal of Molecular Structure
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CCDC 113548: Experimental Crystal Structure Determination

2000

Related Article: U.Stalmach, D.Schollmeyer, H.Meier|1999|Chem.Mater.|11|2103|doi:10.1021/cm990033h

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters14-bis(25-Dipropoxystyryl)-25-dipropoxybenzeneExperimental 3D Coordinates
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CCDC 113546: Experimental Crystal Structure Determination

2000

Related Article: U.Stalmach, D.Schollmeyer, H.Meier|1999|Chem.Mater.|11|2103|doi:10.1021/cm990033h

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters(4-Formyl-4'-methyl-25:2'5'-tetrapropoxy)stilbeneExperimental 3D Coordinates
researchProduct

CCDC 113547: Experimental Crystal Structure Determination

2000

Related Article: U.Stalmach, D.Schollmeyer, H.Meier|1999|Chem.Mater.|11|2103|doi:10.1021/cm990033h

Space GroupCrystallographyCrystal SystemCrystal StructureCell Parameters14-bis(25-Dipropoxystyryl)benzeneExperimental 3D Coordinates
researchProduct

CCDC 113545: Experimental Crystal Structure Determination

2000

Related Article: U.Stalmach, D.Schollmeyer, H.Meier|1999|Chem.Mater.|11|2103|doi:10.1021/cm990033h

(4-Bromo-4'-methyl-25:2'5'-tetrapropoxy)stilbeneSpace GroupCrystallographyCrystal SystemCrystal StructureCell ParametersExperimental 3D Coordinates
researchProduct