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21.
We investigate by numerical simulations the dynamics of alignment of linear molecules in resonant pulsed laser fields and its dependence on pulse length, field strength, and molecular parameters. We propose an analytical short-time approximation for the time-dependent wave packets. We provide a theoretical basis for the occurrence of saturation in the rotational pumping. We present a formula to predict the time at which the maximum alignment occurs. We discuss the magnitude of the laser-induced alignment and we relate it to a theoretical upper limit. 相似文献
22.
van Leeuwen PW Zuideveld MA Swennenhuis BH Freixa Z Kamer PC Goubitz K Fraanje J Lutz M Spek AL 《Journal of the American Chemical Society》2003,125(18):5523-5539
The mechanism and kinetics of the solvolysis of complexes of the type [(L-L)Pd(C(O)CH(3))(S)](+)[CF(3)SO(3)](-) (L-L = diphosphine ligand, S = solvent, CO, or donor atom in the ligand backbone) was studied by NMR and UV-vis spectroscopy with the use of the ligands a-j: SPANphos (a), dtbpf (b), Xantphos (c), dippf (d), DPEphos (e), dtbpx (f), dppf (g), dppp (h), calix-6-diphosphite (j). Acetyl palladium complexes containing trans-coordinating ligands that resist cis coordination (SPANphos, dtbpf) showed no methanolysis. Trans complexes that can undergo isomerization to the cis analogue (Xantphos, dippf, DPEphos) showed methanolyis of the acyl group at a moderate rate. The reaction of [trans-(DPEphos)Pd(C(O)CH(3))](+)[CF(3)SO(3)](-) (2e) with methanol shows a large negative entropy of activation. Cis complexes underwent competing decarbonylation and methanolysis with the exception of 2j, [cis-(calix-diphosphite)Pd(C(O)CH(3))(CD(3)OD)](+)[CF(3)SO(3)](-). The calix-6-diphosphite complex showed a large positive entropy of activation. It is concluded that ester elimination from acylpalladium complexes with alcohols requires cis geometry of the acyl group and coordinating alcohol. The reductive elimination of methyl acetate is described as a migratory elimination or a 1,2-shift of the alkoxy group from palladium to the acyl carbon atom. Cis complexes with bulky ligands such as dtbpx undergo an extremely fast methanolysis. An increasing steric bulk of the ligand favors the formation of methyl propanoate relative to the insertion of ethene leading to formation of oligomers or polymers in the catalytic reaction of ethene, carbon monoxide, and methanol. 相似文献
23.
Amit M. Jabgunde Rahul S. Patil Swarup De Eveline Lescrinier Steven De Jonghe Leonid Beigelman Piet Herdewijn 《Tetrahedron》2019,75(8):1107-1114
The synthesis of 3′-fluoro-4′-amino-hexitol nucleosides with a uracil and cytosine nucleobase was performed. The synthesis started from 1,5:2,3-dianhydro-4,6-benzylidene-allitol and afforded the target compounds in 15 steps. These protected hexitol nucleosides are valuable building blocks for the preparation of a new class of oligonucleotides. 相似文献
24.
Mi-Yeon Jang Xiao-Ping Song Mathy Froeyen Philippe Marlière Eveline Lescrinier Jef Rozenski Piet Herdewijn 《Chemistry & biology》2013,20(3):416-423
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25.
Quantum interference corrections in ballistic conductors require a minimal time: the Ehrenfest time. In this Letter, we investigate the fate of the interference corrections to quantum transport in bulk ballistic conductors if the Ehrenfest time and the dephasing time are comparable. 相似文献
26.
Cover Picture: Phosphinothiolates as Ligands for Polyhydrido Copper Nanoclusters (Chem. Eur. J. 49/2014)
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27.
The study of theacidic sites in zeolites is important to understand the nature of the acidic catalyticfunction.…… 《催化学报》2001,22(3):219-220
The study of the acidic sites in zeolites is important to understand the nature of the acidic catalytic function. 相似文献
28.
Based on our analysis of the hopcount of the shortest path between two arbitrary nodes in the class G
p
(N) of random graphs, the corresponding flooding time is investigated. The flooding time T
N
(p) is the minimum time needed to reach all other nodes from one node. We show that, after scaling, the flooding time T
N
(p) converges in distribution to the two-fold convolution (2*) of the Gumbel distribution function (z)=exp (–e
–z
), when the link density p
N
satisfies Np
N
/(log N)3 if N . 相似文献
29.
30.