Absorption spectra of PTCDI: A combined UV-Vis and TD-DFT study

Spectrochimica Acta - Part A: Molecular and Biomolecular Spectroscopy

Volumn 97, Issue , 2012, Pages 703-710

  Oltean, Mircea ^a   Calborean, Adrian ^a   Mile, George ^a   Vidrighin, Mihai ^a   Iosin, Monica ^a   Leopold, Loredana ^b   Maniu, Dana ^a   Leopold, Nicolae ^a   Chiş, Vasile ^a  

^a BABE BOLYAI UNIVERSITY   (Romania)

^b UNIVERSITY OF AGRICULTURAL SCIENCES AND VETERINARY MEDICINE   (Romania)

Author keywords

Absorption; DFT DCP; Fluorescence; PTCDI; Vibronic structure

Indexed keywords

ADIABATIC TRANSITION ENERGIES; CHLOROFORM SOLUTIONS; DFT-DCP; EXPERIMENTAL DATA; FIRST EXCITED STATE; FRANCK-CONDON APPROXIMATION; GEOMETRY OPTIMIZATION; PTCDI; QUANTUM CHEMICAL; VIBRONIC STRUCTURE;

ABSORPTION; ABSORPTION SPECTRA; CHLORINE COMPOUNDS; DIMETHYLFORMAMIDE; FLUORESCENCE; POLYCYCLIC AROMATIC HYDROCARBONS; QUANTUM CHEMISTRY;

ORGANIC SOLVENTS;

CHLOROFORM; DIMETHYL SULFOXIDE; DRUG DERIVATIVE; IMIDE; N,N DIMETHYLFORMAMIDE; PERYLENE; PERYLENETETRACARBOXYLIC DIIMIDE;

ABSORPTION; ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; CONFORMATION; DIMERIZATION; GAS; QUANTUM THEORY; SOLUTION AND SOLUBILITY; SPECTROFLUOROMETRY; TIME; ULTRAVIOLET SPECTROPHOTOMETRY; VIBRATION;

ABSORPTION; CHLOROFORM; DIMERIZATION; DIMETHYL SULFOXIDE; DIMETHYLFORMAMIDE; GASES; IMIDES; MODELS, MOLECULAR; MOLECULAR CONFORMATION; PERYLENE; QUANTUM THEORY; SOLUTIONS; SPECTROMETRY, FLUORESCENCE; SPECTROPHOTOMETRY, ULTRAVIOLET; TIME FACTORS; VIBRATION;

EID: 84865282557     PISSN: 13861425     EISSN: None     Source Type: Journal    
DOI: 10.1016/j.saa.2012.07.056     Document Type: Article

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