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Volumn 17, Issue 10, 2011, Pages 2996-3004

Mechanistic insight into stereoselective carbolithiation

Author keywords

C C coupling; density functional calculations; lithium; reaction mechanisms; transition states

Indexed keywords

ALKYLLITHIUMS; AMIDE MOIETIES; C-C COUPLING; CARBOLITHIATION; COMPUTATIONAL STUDIES; DENSITY FUNCTIONAL CALCULATIONS; DIASTEREOMERIC; DOUBLE BONDS; HIGH ENANTIOSELECTIVITY; HIGH SELECTIVITY; LITHIUM AMIDE; METHYLSTYRENE; REACTION MECHANISMS; REPULSION EFFECTS; STEREO-SELECTIVE; TRANSITION STATE; TRANSITION STATES; X RAY STRUCTURE ANALYSIS;

EID: 79951977710     PISSN: 09476539     EISSN: 15213765     Source Type: Journal    
DOI: 10.1002/chem.201000814     Document Type: Article
Times cited : (29)

References (110)
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    • This method was evaluated by calculation of the carbolithiation of β-methylstyrene with methyllithium and TMEDA (for details, see Supporting Information). Thereby, no changes in bond lengths by more than 1 pm occurred. The small difference in energy is caused by the change to the lower level of theory. However, these differences are averaged by comparison of analogous activation barriers within the same method
    • This method was evaluated by calculation of the carbolithiation of β-methylstyrene with methyllithium and TMEDA (for details, see Supporting Information). Thereby, no changes in bond lengths by more than 1 pm occurred. The small difference in energy is caused by the change to the lower level of theory. However, these differences are averaged by comparison of analogous activation barriers within the same method.
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    • The crystals undergo phase transformation at temperatures higher than -50°C
    • The crystals undergo phase transformation at temperatures higher than -50°C.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.