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Volumn 128, Issue 33, 2006, Pages 10738-10744

Nucleophilic substitution at phosphorus (SN2@P): Disappearance and reappearance of reaction barriers

Author keywords

[No Author keywords available]

Indexed keywords

CARBON; COMPLEXATION; REACTION KINETICS; SUBSTITUTION REACTIONS;

EID: 33747792061     PISSN: 00027863     EISSN: None     Source Type: Journal    
DOI: 10.1021/ja0606529     Document Type: Article
Times cited : (142)

References (52)
  • 7
    • 0041821853 scopus 로고    scopus 로고
    • See also: Science 2003, 301, 1184c
    • (2003) Science , vol.301
  • 8
    • 0042823854 scopus 로고    scopus 로고
    • and Science 2003, 301, 1184d.
    • (2003) Science , vol.301
  • 24
  • 49
    • 33747798787 scopus 로고    scopus 로고
    • note
    • The initially formed TCs for 11b and 11c are not completely symmetric regarding the orientation of the methoxy substituents. Symmetric, ca. 1 kcal/mol more stable TC structures are achieved through flipping one methoxy from the reactant to the product orientation via a small barrier of 1.4 (11b) or 0.4 kcal/mol (11c). Turning the other methoxy substituent also to the product orientation yields a TC that is equivalent to the initial one.
  • 51
    • 33747787135 scopus 로고    scopus 로고
    • note
    • 3Cl is frozen to the geometry it adopts in the RC in which it is already slightly deformed with respect to its own equilibrium structure.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.