Suzuki coupling of the bifunctional substrate 1 using [Pd(2)(dba)(3)]/PtBu(3) gives selectivity for C-Cl in nonpolar solvents but for C-OTf in polar solvents. The results of computational and experimental studies suggest that the catalytically active species in polar solvents under conditions employ
Molecular solvent vibrational effects on the friction for barrier crossing reactions
β Scribed by Anthony G. Zawadzki; James T. Hynes
- Publisher
- Elsevier Science
- Year
- 1991
- Tongue
- English
- Weight
- 436 KB
- Volume
- 48
- Category
- Article
- ISSN
- 0167-7322
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π SIMILAR VOLUMES
An upper bbund of 6 X 10" cm3/mole s on the rate constant for the reaction. of atomic oxygen with vibrntional-I$ excited Yz has been deduced from laboiatory'observations and from detailed computer &ulations. From this result it can be shown that no more than 30% of the vibrational energy of Hz is e
4 hfonte Carlo method 1s devrsed for the study cf systems which have a few quantum degrees of freedom coupled to many essentrally chss~cal coordinates The densrty dependence of the solvent-Induced shrfts m the vibratronal spectrum IS mvesn-@ted for ;1 dntomlc (I&) &solved m ZI monatonuc flurd (Ar).