{2 + 2} cycloaddition of Alkyne with titanium-imido complex: Theoretical study of determining factor of reactivity and regioselectivity

Journal of Physical Chemistry A

Volumn 114, Issue 1, 2010, Pages 659-665

  Ochi, Noriaki ^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

2-BUTYNE; ACTIVATION BARRIERS; ANTIBONDING; BONDING ORBITALS; C ATOMS; CCSD; ELECTRON-DONATING GROUP; EXOTHERMICITY; IMIDO COMPLEXES; METHOXY; METHOXY GROUP; MINOR PRODUCTS; PROPYNES; REGIO-SELECTIVE; THEORETICAL STUDY; TRANSITION STATE; WOODWARD;

ACETYLENE; SILICON COMPOUNDS; TITANIUM;

TITANIUM COMPOUNDS;

ALKYNE; IMIDE; ORGANOMETALLIC COMPOUND; TITANIUM;

ARTICLE; CHEMICAL MODEL; CHEMICAL STRUCTURE; CHEMISTRY; COMPUTER SIMULATION; CYCLIZATION; STEREOISOMERISM;

ALKYNES; COMPUTER SIMULATION; CYCLIZATION; IMIDES; MODELS, CHEMICAL; MOLECULAR STRUCTURE; ORGANOMETALLIC COMPOUNDS; STEREOISOMERISM; TITANIUM;

EID: 75249088686     PISSN: 10895639     EISSN: None     Source Type: Journal    
DOI: 10.1021/jp908465b     Document Type: Article

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