Franck-Condon simulation of vibrationally resolved optical spectra for zinc complexes of phthalocyanine and tetrabenzoporphyrin including the Duschinsky and Herzberg-Teller effects

Journal of Chemical Physics

Volumn 136, Issue 14, 2012, Pages

  Guo, Meiyuan ^a   He, Rongxing ^a   Dai, Yulan ^a   Shen, Wei ^a   Li, Ming ^a   Zhu, Chaoyuan ^b   Lin, Sheng Hsien ^b  

^a SOUTHWEST UNIVERSITY   (China)

^b NATIONAL CHIAO TUNG UNIVERSITY   (Taiwan)

Author keywords

[No Author keywords available]

Indexed keywords

ABSORPTION AND FLUORESCENCE SPECTRA; ELECTRONIC TRANSITION; EXPERIMENTAL SPECTRA; FRANCK-CONDON SIMULATIONS; GROUND STATE GEOMETRY; HERZBERG-TELLER EFFECT; OPTICAL SPECTRA; ORBITAL ENERGY; PORPHYRIN MACROCYCLE; Q BANDS; Q STATE; SPECTRAL SIMILARITY; SUPERSONIC EXPANSIONS; TETRABENZOPORPHYRINS; THEORETICAL INVESTIGATIONS; THEORETICAL RESULT; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; VIBRATIONAL BANDS; VIBRATIONALLY RESOLVED; ZINC COMPLEX;

DENSITY FUNCTIONAL THEORY; FLUORESCENCE; MOLECULES; PORPHYRINS; ZINC;

NITROGEN COMPOUNDS;

EID: 84859967519     PISSN: 00219606     EISSN: None     Source Type: Journal    
DOI: 10.1063/1.3703310     Document Type: Article

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