(η5-C4H4S)Cr(CO)3 and (η5-C4H4Se)Cr(CO)3: A DFT investigation of the ground-state singlet and triplet surfaces. New insights into the mechanism of C-S or C-Se insertion reactions

Organometallics

Volumn 28, Issue 1, 2009, Pages 94-99

  Alamiry, Mohammed A H ^a,b   Brennan, Peter ^a   Coleman, Anthony ^c   Long, Conor ^a   Pryce, Mary T ^a  

^a DUBLIN CITY UNIVERSITY   (Ireland)

^b NEWCASTLE UNIVERSITY   (United Kingdom)

^c UNIVERSITY OF GRONINGEN   (Netherlands)

Author keywords

[No Author keywords available]

Indexed keywords

CHROMIUM; COORDINATION REACTIONS; THIOPHENE;

B3LYP/LANL2DZ; CHROMIUM-TRICARBONYL; ENERGY MINIMUM; GROUND-STATE; INSERTION PROCESS; INSERTION REACTIONS; P MODELS; REACTION PATH MODELING; SELENOPHENE; TRANSITION STATE; TRIPLET SURFACES;

ACTIVATION ENERGY;

EID: 61849100394     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om8007794     Document Type: Article

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