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Volumn 7, Issue 7, 2001, Pages 1431-1436

Remote dipole effects as a means to accelerate [Ru(amino alcohol)]-catalyzed transfer hydrogenation of ketones

Author keywords

Amino alcohols; Asymmetric catalysis; Reduction; Ruthenium

Indexed keywords

ACTIVATION ENERGY; AROMATIC COMPOUNDS; CATALYSIS; COMPUTATIONAL METHODS; HYDROGENATION; REACTION KINETICS; STEREOCHEMISTRY; SYNTHESIS (CHEMICAL);

EID: 0035312860     PISSN: 09476539     EISSN: None     Source Type: Journal    
DOI: 10.1002/1521-3765(20010401)7:7<1431::AID-CHEM1431>3.0.CO;2-L     Document Type: Article
Times cited : (117)

References (29)
  • 24
    • 85037299071 scopus 로고    scopus 로고
    • Evaluated by B3PW91/LANL2DZ calculation
    • Evaluated by B3PW91/LANL2DZ calculation.
  • 25
    • 85037306197 scopus 로고    scopus 로고
    • note
    • For computational details see reference [5b].
  • 26
    • 85037292461 scopus 로고    scopus 로고
    • note
    • SDD with an added set of f functions was used for Ru, whereas 6-311 + G was used for other atoms.
  • 27
    • 85037322061 scopus 로고    scopus 로고
    • note
    • -1. BSSE in the B3PW91 calculation could cause an overestimation of the interaction energy.
  • 28
    • 85037295628 scopus 로고    scopus 로고
    • note
    • Solvation free energies calculated in Gaussian 98 by using the PCM method with parameters for ethanol together with B3PW91 and SDD for ruthenium and 6-31G* for other atoms indicate a possible rate difference for ligand 2a. However, the small energy difference is probably without the accuracy of this method.


* 이 정보는 Elsevier사의 SCOPUS DB에서 KISTI가 분석하여 추출한 것입니다.