Theoretical study on the electronic excitations of a porphyrin-polypyridyl ruthenium(II) photosensitizer

Journal of Physical Chemistry A

Volumn 115, Issue 43, 2011, Pages 11988-11997

  Cárdenas Jirón, Gloria I ^a   Barboza, Cristina A ^a,b   López, Ramón ^c   Menéndez, M Isabel ^c  

^a UNIVERSIDAD DE SANTIAGO DE CHILE   (Chile)

^b UNIVERSIDAD ANDRÉS BELLO   (Chile)

^c UNIVERSITY OF OVIEDO   (Spain)

Author keywords

[No Author keywords available]

Indexed keywords

BASIS SETS; BLUE-SHIFTED; CHARGE TRANSFER BANDS; CLEAVAGE MECHANISM; ELECTRONIC EXCITATION; ELECTRONIC REDISTRIBUTION; ELECTRONIC SPECTRUM; EXPERIMENTAL DATA; FUNCTIONALS; GEOMETRICAL CHANGES; MAXIMUM ERROR; METAL TO LIGAND CHARGE TRANSFERS; NBO ANALYSIS; PSEUDOPOTENTIALS; RU COMPLEXES; RUTHENIUM COMPLEXES; SORET BANDS; THEORETICAL SPECTRA; THEORETICAL STUDY; TIME DEPENDENT DENSITY FUNCTIONAL THEORY; UV REGION; UV-VIS SPECTRA;

ATOMIC SPECTROSCOPY; CHARGE TRANSFER; CHLORINE COMPOUNDS; ION EXCHANGE; LIGANDS; PHOTOSENSITIZERS; PORPHYRINS; RUTHENIUM; RUTHENIUM COMPOUNDS;

DENSITY FUNCTIONAL THEORY;

ORGANOMETALLIC COMPOUND; PHOTOSENSITIZING AGENT; PORPHYRIN; PYRIDINE DERIVATIVE; RUTHENIUM;

ARTICLE; CHEMICAL STRUCTURE; CHEMISTRY; ELECTRON; QUANTUM THEORY;

ELECTRONS; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; PHOTOSENSITIZING AGENTS; PORPHYRINS; PYRIDINES; QUANTUM THEORY; RUTHENIUM;

EID: 80055034592     PISSN: 10895639     EISSN: 15205215     Source Type: Journal    
DOI: 10.1021/jp202377d     Document Type: Article

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