π-Bond vs. Agostic Interaction in Three-Coordinated Alkoxy and Thiolate Derivatives of Aluminium, Boron and Cationic Carbon - An ab initio Study of H2X-YR Systems (X = Al, B, C+; Y = O, S; R = H, CH3)

European Journal of Inorganic Chemistry

Volumn , Issue 7, 1998, Pages 1015-1023

  Demachy, Isabelle ^a   Volatron, François ^a  

^a UNIVERSITÉ PARIS SACLAY   (France)

Author keywords

Ab initio calculations; Agostic interactions; Electronic structure; interactions

Indexed keywords

ALUMINUM; ALUMINUM COMPOUNDS; BORON; CARBON; HYDROGEN; POTENTIAL ENERGY; QUANTUM CHEMISTRY;

AB INITIO CALCULATIONS; AB INITIO STUDY; AGOSTIC INTERACTIONS; CATIONICS; CONJUGATION EFFECTS; ELECTRONIC.STRUCTURE; ORBITALS; ROTATIONAL BARRIERS; THIOLATES; Π INTERACTION;

ELECTRONIC STRUCTURE;

EID: 0007100421     PISSN: 14341948     EISSN: None     Source Type: Journal    
DOI: 10.1002/(sici)1099-0682(199807)1998:7<1015::aid-ejic1015>3.0.co;2-x     Document Type: Article

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