Journal of the American Chemical SocietyPeters, K. S.; Gasparrini, S.; Heeb, L. R. Dynamic Nature of the Transition State for the SN1 Reaction Mechanism of Diphenyl- methyl Acetates. J. Am. Chem. Soc. 2005, 127, 13039-13047.
The solvolyses of t-butyl chloride, benzyl chloride, and p-chlorobenzyl chloride represented a gradation of reaction type between SN1 and SN2 and the transition state partial molal volume behavior was found to be distinctly different in each case and in agreement with the mechanistic classification...
An important link between theoretical and experimental views of organic reactivity is provided by More O'Ferrall-Jencks diagrams, which are commonly used in empirical discussions of reaction mechanisms and of changes in transition-state structure. We have performed semiempirical AM1 molecular-orbital ...
A free energy diagram for an SN1 reaction shows one transition state. When a hydrogen electron makes a transition from n = 3 to n = 2, which of the following statements is true? (i) Energy is emitted. (ii) Energy ...
Zinc-substituted CaLa4Ti5O17 microwave dielectric ceramics with the composition of Ca1−xZnxLa4Ti5O17 (x=0–1) were prepared by a solid-state reaction me... F Zhao,Z Yue,Z Gui,... - 《Journal of the American Ceramic Society》 被引量: 15发表: 2006年 Precise analysis of calcium sta...
VX2 Exchange interaction parameters and Curie temperature. To find the magnetic ground state of the VthXe2femrroonmoalagyneertsi,cw(FeMco)n, saindteifreerdrothmraegenpeotsicsi(bAleFmMa)g, annedticcoclolinnfeigaurraanttioifnersrwomithaignntehtiec2( C×O 2L ×) s1psiunpaerrrcae...
A distinct geometrical preference is associated with the change in mechanism: in a tight SN2 transition state the nitrogen lone pair is turned to avoid repulsive interaction, while it parallels the reaction coordinate in a loose, SN1-like transition state....
Keywords: concerted reactions, Marcus theory, eliminations, reaction surfaces.doi:10.1139/v90-256J. Peter GuthrieRevue Canadienne De ChimieGuthrie, J. P. Concertedness and E2 elimination reactions: prediction of transition state position and reaction rates using two-dimensional reaction surfaces based ...
The isotope effect calculations show that the dependence of calculated 13C isotope effects on transition state symmetry found by Willi and Sims etal. holds true for reaction barriers corresponding to small values of νL, while the symmetry dependence observed by Bron holds true for barriers ...
The typical procedure is as follows: Firstly, they soaked the 2H-MoS2 powder in a solution of n-butyl lithium in hexane (1.6 M), and kept it in this state for at least 48 h. In the process, lithium was intercalated into the interlayer of MoS2, forming LixMoS2. The insertion of Li...