Carbon dioxide activation assisted by a bis(chlorodimethylsilyl) cyclopentadienyl titanium compound

Angewandte Chemie - International Edition

Volumn 44, Issue 36, 2005, Pages 5828-5830

  Santamaría, David ^a   Cano, Jesús ^a   Royo, Pascual ^a   Mosquera, Marta E G ^a   Cuenca, Tomás ^a   Frutos, Luis M ^a   Castaño, Obis ^a  

^a UNIVERSITY OF ALCALÁ   (Spain)

Author keywords

Ab initio calculations; Carbon dioxide fixation; Silicon; Titanium

Indexed keywords

AIR; CARBON DIOXIDE; MAGNETISM; WATER;

AB INITIO CALCULATIONS; CARBON DIOXIDE FIXATION;

ORGANIC COMPOUNDS;

EID: 24944550069     PISSN: 14337851     EISSN: None     Source Type: Journal    
DOI: 10.1002/anie.200500716     Document Type: Article

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30. Single point from the X-ray structure as well as geometrical optimization with the Hartree-Fock (HF) and B3Lyp methods with the 3-21G(d) basis set were performed by using the Gaussian98 suite of programs (see ref. [23]).
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34. 1 (approximately 0.8 e; see Supporting Information).
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