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1.
Dr. Zhoulong Fan Katherine L. Bay Dr. Xiangyang Chen Zhe Zhuang Han Seul Park Dr. Kap-Sun Yeung Prof. Dr. K. N. Houk Prof. Dr. Jin-Quan Yu 《Angewandte Chemie (Weinheim an der Bergstrasse, Germany)》2020,132(12):4800-4807
A simple and efficient nitrile-directed meta-C−H olefination, acetoxylation, and iodination of biaryl compounds is reported. Compared to the previous approach of installing a complex U-shaped template to achieve a molecular U-turn and assemble the large-sized cyclophane transition state for the remote C−H activation, a synthetically useful phenyl nitrile functional group could also direct remote meta-C−H activation. This reaction provides a useful method for the modification of biaryl compounds because the nitrile group can be readily converted to amines, acids, amides, or other heterocycles. Notably, the remote meta-selectivity of biphenylnitriles could not be expected from previous results with a macrocyclophane nitrile template. DFT computational studies show that a ligand-containing Pd–Ag heterodimeric transition state (TS) favors the desired remote meta-selectivity. Control experiments demonstrate the directing effect of the nitrile group and exclude the possibility of non-directed meta-C−H activation. Substituted 2-pyridone ligands were found to be key in assisting the cleavage of the meta-C−H bond in the concerted metalation–deprotonation (CMD) process. 相似文献
2.
An optimal control model of exhaustible resources is used to clarify the long run relationship between mineral rent and depletion cost at the industry level. A standard first order condition of the time rate of change of rents is reformulated to reveal that rent data may be used to help forecast the rise in extraction costs resulting from resource depletion. This application of the theory of exhaustible resources is illustrated using historical mineral industry rent and extraction cost data. A forecast of U.S. coal extraction costs, following the method proposed in this paper, suggests that future rates of extraction cost increases will be similar to rates experienced in the past. 相似文献
3.
Recursive algorithms for the computation of standard deviation and average deviation are derived and their applications in data acquisition are discussed. The relative speeds and accuracies of the two algorithms are compared for synthetic data. The performance of recursive estimation under shot and proportional noise limitations is also described. As an example of the utility of these algorithms, absorbance data with constant confidence intervals are collected regardless of incident and transmitted intensities. The desired precision is specified prior to data acquisition and used to control signal-averaging of the data in real time. 相似文献
4.
We analyze diffusion from a periodic array of hemispherical droplets through a membrane. We find that the multiple sources do not interact strongly, even when the droplets are closely spaced, so that the flux through the membrane appears nearly additive. 相似文献
5.
P. Rudolf R. Raval P. Dumas G.P. Williams 《Applied Physics A: Materials Science & Processing》2002,75(1):147-153
Infrared (IR) spectroscopy of chemisorbed C60 on Ag (111), Au (110) and Cu (100) reveals that a non-IR-active mode becomes active upon adsorption, and that its frequency
shifts proportionally with the charge transferred from the metal to the molecule by about 5 cm-1 per electron. The temperature dependence of the frequency and the width of this IR feature have also been followed for C60/Cu (100) and were found to agree well with a weak anharmonic coupling (dephasing) to a low-frequency mode, which we suggest
to be the frustrated translational mode of the adsorbed molecules.
Additionally, the adsorption is accompanied by a broadband reflectance change, which is interpreted as due to the scattering
of conduction electrons of the metal surface by the adsorbate. The reflectance change allows determination of the friction
coefficient of the C60 molecules, which results in rather small values (∼2×109 s-1 for Ag and Au, and ∼1.6×109 s-1for Cu), consistent with a marked metallic character of the adsorbed molecules.
Pre-dosing of alkali atoms onto the metal substrates drastically changes the IR spectra recorded during subsequent C60 deposition: anti-absorption bands, as well as an increase of the broadband reflectance, occur and are interpreted as due
to strong electron–phonon coupling with induced surface states.
Received: 6 June 2001 / Accepted: 23 October 2001 / Published online: 3 April 2002 相似文献
6.
Graham D. Williams 《Results in Mathematics》2005,47(1-2):155-161
For each of a standard set of normal forms for (n × n) complex matrices under the relation of congruence, explicit matrices are exhibited which transform, via congruence, the normal form to its transpose. 相似文献
7.
The basic features of a chemical measurement 总被引:2,自引:0,他引:2
8.
9.
Alain Bachelot Eric Darrigrand Katherine Mer-Nkonga 《Comptes Rendus Mathematique》2003,336(6):505-510
The aim of this work is to propose an accurate and efficient numerical approximation for high frequency diffraction of electromagnetic waves. In the context of the boundary integral equations presented in F. Collino and B. Després, to be published in J. Comput. Appl. Math., the strategy we propose combines the microlocal discretization (T. Abboud et al., in: Third International Conference on Mathematical Aspects of Wave Propagation Phenomena, SIAM, 1995, pp. 178–187) and the multilevel fast multipole method (J.M. Song, W.C. Chew, Microw. Opt. Tech. Lett. 10 (1) (1995) 14–19). This leads to a numerical method with a reduced complexity, of order O(N4/3ln(N)+NiterN2/3), instead of the complexity O(NiterN2) for a classical numerical iterative solution of integral equations. Computations on an academic geometry show that the new method improves the efficiency, for a solution with a good level of accuracy. To cite this article: A. Bachelot et al., C. R. Acad. Sci. Paris, Ser. I 336 (2003). 相似文献
10.