Comparison of electronic structures and light-induced excited spin state trapping between [Fe(2-picolylamine)3]2+ and its iron(iii) analogue

Dalton Transactions

Volumn 39, Issue 7, 2010, Pages 1836-1845

  Ando, Hideo ^a   Nakao, Yoshihide ^a   Sato, Hirofumi ^a   Sakaki, Shigeyoshi ^a,b  

^a KYOTO UNIVERSITY   (Japan)

^b KYOTO UNIVERSITY   (Japan)

Author keywords

[No Author keywords available]

Indexed keywords

ACTIVATION BARRIERS; BOND DISTANCE; COMPUTATIONAL RESULTS; D-D TRANSITIONS; DFT METHOD; EQUILIBRIUM GEOMETRIES; HIGH SPIN STATE; INTERSYSTEM CROSSING; QUINTET STATE; RELATIVE STABILITIES; SEXTET STATE; SINGLET EXCITED STATE; SINGLET STATE; SPIN STATE; THERMAL SPIN TRANSITION; TRIPLET STATE; VISIBLE LIGHT;

ELECTRONIC STRUCTURE; GEOMETRY; IRON COMPOUNDS; ISOMERS; PROBABILITY DENSITY FUNCTION; QUANTUM CHEMISTRY;

SPIN DYNAMICS;

FERRIC ION;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPARATIVE STUDY; COMPUTER SIMULATION; ELECTRON; LIGHT;

COMPUTER SIMULATION; ELECTRONS; FERRIC COMPOUNDS; LIGHT; MODELS, CHEMICAL; MOLECULAR STRUCTURE;

EID: 75749094731     PISSN: 14779226     EISSN: 14779234     Source Type: Journal    
DOI: 10.1039/b913927c     Document Type: Article

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