Bipyridyl derivatives as photomemory devices: A comparative electronic-structure study

Chemistry - A European Journal

Volumn 16, Issue 22, 2010, Pages 6693-6703

  Ortiz Sánchez, Juan Manuel ^a   Gelabert, Ricard ^a   Moreno, Miquel ^a   Lluch, José M ^a   Anglada, Josep M ^b   Bofill, Josep M ^c  

^a UNIVERSITAT AUTÒNOMA DE BARCELONA   (Spain)

^b INSTITUTE OF ADVANCED CHEMISTRY OF CATALONIA IQAC CSIC   (Spain)

^c UNIVERSITY OF BARCELONA   (Spain)

Author keywords

Bipyridyls; Computer chemistry; Conical intersections; Photochemistry; Proton transfer; Reaction mechanisms

Indexed keywords

DENSITY FUNCTIONAL THEORY; ELECTRONIC STRUCTURE; EXCITED STATES; FLUORESCENCE; HYDROGEN BONDS; LARGE SCALE SYSTEMS; PHOTOCHEMICAL REACTIONS; POTENTIAL ENERGY; PROTON TRANSFER; QUANTUM CHEMISTRY; QUANTUM THEORY;

BIPYRIDYLS; COMPLETE ACTIVE SPACE SELF CONSISTENT FIELDS; COMPUTER CHEMISTRY; CONICAL INTERSECTION; EXCITED STATE DOUBLE PROTON TRANSFERS; FLUORESCENCE QUANTUM YIELD; PHOTOCHEMICAL PROPERTIES; REACTION MECHANISM;

CARBONYLATION;

EID: 77953147056     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.200903440     Document Type: Article

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