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Charge-Transfer-Type Fluorescence of 4-(1H-Pyrrol-1-yl)benzonitrile (PBN) and N-Phenylpyrrole (PP) in Cryogenic Matrixes: Evidence for Direct Excitation of the CT Band

Schweke, D., Baumgarten, H., Haas, Y., Rettig, Wolfgang and Dick, Bernhard (2005) Charge-Transfer-Type Fluorescence of 4-(1H-Pyrrol-1-yl)benzonitrile (PBN) and N-Phenylpyrrole (PP) in Cryogenic Matrixes: Evidence for Direct Excitation of the CT Band. Journal of Physical Chemistry A 109 (4), pp. 576-585.

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Abstract

The fluorescence spectrum of PBN in a neat argon matrix is excitation-wavelength-dependent: at short excitation wavelengths, it consists of dual emission assigned to a charge-transfer (CT) state and a much weaker band assigned to the locally excited (LE) state. The CT emission is broad and almost completely devoid of vibrational structure, whereas the LE band is characterized by vibrationally ...

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Item type:Article
Date:2005
Additional Information (public):CAN 142:218880 22-9 Physical Organic Chemistry 635-90-5 (N-Phenylpyrrole); 23351-07-7 Role: PEP (Physical, engineering or chemical process), PRP (Properties), PYP (Physical process), PROC (Process) (charge-transfer-type fluorescence of pyrrolylbenzonitrile and phenylpyrrole in cryogenic matrixes)
Institutions:Chemistry and Pharmacy > Institut für Physikalische und Theoretische Chemie > Chair of Chemistry III - Physical Chemistry (Molecular Spectroscopy and Photochemistry) > Prof. Dr. Bernhard Dick
Identification Number:
ValueType
2005:5008Other
Keywords:Density functional theory (B3LYP, charge-transfer-type fluorescence of pyrrolylbenzonitrile and phenylpyrrole in cryogenic matrixes); CASSCF; Charge transfer state; Cluster model; Dipole moment; Electron density; Lennard-Jones potential; Localized electronic state; Solvatochromism; Vibronic transition (charge-transfer-type fluorescence of pyrrolylbenzonitrile and phenylpyrrole in cryogenic matrixes); Fluorescence (dual, charge-transfer-type fluorescence of pyrrolylbenzonitrile and phenylpyrrole in cryogenic matrixes); Molecular structure (optimized, charge-transfer-type fluorescence of pyrrolylbenzonitrile and phenylpyrrole in cryogenic matrixes); fluorescence CT pyrrolylbenzonitrile phenylpyrrole cryogenic matrix
Dewey Decimal Classification:500 Science > 540 Chemistry & allied sciences
Status:Published
Refereed:Yes, this version has been refereed
Created at the University of Regensburg:Partially
Item ID:5573
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