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Bingxin LiuYoshio Tatamitani Jun ShimadaTeruhiko Ogata 《Journal of Molecular Spectroscopy》2002,211(1):99-106
The microwave spectrum of the 35Cl and 37Cl isotopic species of 1-chloro-1,1,2-trifluoroethane (HCFC-133b) has been investigated in the frequency region 10 to 50 GHz using a Stark modulation microwave spectrometer. A pulsed jet Fourier transform microwave spectrometer was also used for the measurement of hyperfine splittings. A least-squares analysis of the observed b-type Q- and R-branch transition frequencies gave rotational and centrifugal distortion constants and components of the chlorine nuclear quadrupole coupling constant tensors in the principal axes system as follows: A=4625.161 (3) MHz, B=2004.127 (2) MHz, C=1875.813 (2) MHz, ΔJ=0.144 (9) kHz, ΔJK=1.0748 (8) kHz, ΔK=1.57 (1) kHz, δJ=0.01376 (4) kHz, δK=−0.146 (4) kHz, χaa=−57.958 (10) MHz, χbb=21.231 (11) MHz, and χcc=36.727 (11) MHz for 35ClCF2CH2F species, and A=4607.684 (6) MHz, B=1960.565 (2) MHz, C=1834.823 (2) MHz, ΔJ=0.106 (7) kHz, ΔJK=1.022 (3) kHz, ΔK=1.48 (1) kHz, δJ=0.0142 (2) kHz, δK=−0.18 (2) kHz, χaa=−46.268 (11) MHz, χbb=17.319 (13) MHz, and χcc=28.950 (13) MHz for 37ClCF2CH2F species. The structural parameters are calculated from the observed six rotational constants by assuming the partial structure of ab initio calculation. The electronic properties of the C-Cl bond are evaluated from the observed nuclear quadrupole constants of chlorine. These molecular properties are compared with those of other related molecules. 相似文献
24.
A Modified Quasi-Newton Method for Structured Optimization with Partial Information on the Hessian 总被引:2,自引:0,他引:2
This paper develops a modified quasi-Newton method for structured unconstrained optimization with partial information on the
Hessian, based on a better approximation to the Hessian in current search direction. The new approximation is decided by both
function values and gradients at the last two iterations unlike the original one which only uses the gradients at the last
two iterations. The modified method owns local and superlinear convergence. Numerical experiments show that the proposed method
is encouraging comparing with the methods proposed in [4] for structured unconstrained optimization
Presented at the 6th International Conference on Optimization: Techniques and Applications, Ballarat, Australia, December
9–11, 2004 相似文献
25.
26.
The fuzzification of convex sets in median algebras is considered, and some of their properties are investigated. A characterization of finite valued fuzzy convex set is given. 相似文献
27.
Soliton interaction under the influence of higher-order effects 总被引:6,自引:0,他引:6
In this paper, we present exact N-soliton solution by employing simple, straightforward Darboux transformation based on the Lax pair for Hirota equation, a higher-order nonlinear Schrödinger (HNLS) equation. As examples, one- and two-soliton solutions in explicit forms are given and their properties are also analyzed. A bound solution without interaction will be theoretically predicted if one can adjust frequency shift for each soliton appropriately. Further, we obtain the approximate eigenvalues by employing two-soliton solution and discuss analytically the interaction between neighboring solitons under the influence of the higher-order effects. It is shown that the combined effects of the higher-order effects can restrain the interaction between neighboring solitons to some extent. The results are proved by directly solving HNLS equation numerically. 相似文献
28.
The rate constants k1 for the reaction of CF3CF2CF2CF2CF2CHF2 with OH radicals were determined by using both absolute and relative rate methods. The absolute rate constants were measured at 250–430 K using the flash photolysis–laser‐induced fluorescence (FP‐LIF) technique and the laser photolysis–laser‐induced fluorescence (LP‐LIF) technique to monitor the OH radical concentration. The relative rate constants were measured at 253–328 K in an 11.5‐dm3 reaction chamber with either CHF2Cl or CH2FCF3 as a reference compound. OH radicals were produced by UV photolysis of an O3–H2O–He mixture at an initial pressure of 200 Torr. Ozone was continuously introduced into the reaction chamber during the UV irradiation. The k1 (298 K) values determined by the absolute method were (1.69 ± 0.07) × 10?15 cm3 molecule?1 s?1 (FP‐LIF method) and (1.72 ± 0.07) × 10?15 cm3 molecule?1 s?1 (LP‐LIF method), whereas the K1 (298 K) values determined by the relative method were (1.87 ± 0.11) × 10?15 cm3 molecule?1 s?1 (CHF2Cl reference) and (2.12 ± 0.11) × 10?15 cm3 molecule?1 s?1 (CH2FCF3 reference). These data are in agreement with each other within the estimated experimental uncertainties. The Arrhenius rate constant determined from the kinetic data was K1 = (4.71 ± 0.94) × 10?13 exp[?(1630 ± 80)/T] cm3 molecule?1 s?1. Using kinetic data for the reaction of tropospheric CH3CCl3 with OH radicals [k1 (272 K) = 6.0 × 10?15 cm3 molecule?1 s?1, tropospheric lifetime of CH3CCl3 = 6.0 years], we estimated the tropospheric lifetime of CF3CF2CF2CF2CF2CHF2 through reaction with OH radicals to be 31 years. © 2003 Wiley Periodicals, Inc. Int J Chem Kinet 36: 26–33, 2004 相似文献
29.
Jong Chan Lee Jin Young Park So Young Yoon Yong Hun Bae Seung Jun Lee 《Tetrahedron letters》2004,45(1):191-193
A novel and direct method for the synthesis of α-halocarbonyl compounds using sequential treatment of carbonyl compounds with [hydroxy(tosyloxy)iodo]benzene followed by magnesium halides under solvent-free microwave irradiation conditions is described. 相似文献
30.
The semi‐iterative method (SIM) is applied to the hyper‐power (HP) iteration, and necessary and sufficient conditions are given for the convergence of the semi‐iterative–hyper‐power (SIM–HP) iteration. The root convergence rate is computed for both the HP and SIM–HP methods, and the quotient convergence rate is given for the HP iteration. Copyright © 2005 John Wiley & Sons, Ltd. 相似文献