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排序方式: 共有165条查询结果,搜索用时 312 毫秒
1.
Gunes Sibel Senyigit Ercan Karakaya Ersin Ozceyhan Veysel 《Journal of Thermal Analysis and Calorimetry》2019,136(4):1795-1806
Journal of Thermal Analysis and Calorimetry - This work introduces the determination of the optimum values of the design parameters in a tube with loose-fit perforated twisted tapes. The effects of... 相似文献
2.
Thompson RS Guler LP Nelson ED Yu YQ Kenttämaa HI 《The Journal of organic chemistry》2002,67(15):5076-5084
The 1,3-dioxolane-2-phosphenium ion, 1,3-benzodioxole-2-phosphenium ion, and o-biphenylenephosphenium ion are reported to react in a stereoselective manner with cis- and trans-1,2-diaminocyclohexanes in the gas phase in a Fourier transform ion cyclotron resonance mass spectrometer. Elimination of NH3 from an addition product was observed only for the trans isomer. Several reaction mechanisms were experimentally and computationally examined (B3LYP/6-31G(d)//HF/6-31G(d) + ZPVE level of theory). The most plausible mechanism is initiated by addition of one of the amino groups to the electrophilic phosphorus atom followed by proton transfer between the amino groups. A change to a diaxial conformation for the trans isomer facilitates anchimeric assistance by the now nucleophilic phosphorus atom as the C-N bond breaks to release NH3. Intramolecular proton transfer competes with the conformational change and ultimately leads to ethylene glycol elimination. The transition states for the critical steps of these two reactions are calculated to be nearly equal in magnitude, which rationalizes the observation of both reactions for the trans-diamine. In contrast, the adduct of the cis isomer can eliminate NH3 via a concerted 1,2-hydride shift without a need for a conformational change. However, the barrier associated with this reaction was found to be substantially greater than for proton transfer between the N- and O-atoms. The latter reaction dominates and ultimately leads to ethylene glycol elimination. 相似文献
3.
4.
Huang Y Guler L Heidbrink J Kenttämaa H 《Journal of the American Chemical Society》2005,127(11):3973-3978
Gas-phase reactivity of five differently substituted positively charged phenyl radicals was examined toward six amino acids by using Fourier transform ion cyclotron resonance mass spectrometry (FT-ICR). The reactivity of the radicals studied was determined by the electrophilicity of the radical, which can be characterized by the radical's electron affinity (EA). The larger the electron affinity of the radical, the higher the overall reaction rate. In addition to the expected H-atom abstraction, several unprecedented reaction pathways were observed, including NH2 abstraction, SH abstraction, and SCH3 abstraction. These reaction pathways dominate for the most electrophilic radicals, and they may not follow radical but rather nucleophilic addition-elimination mechanisms. Hydrogen abstraction from glycine was also investigated theoretically. The results indicate that hydrogen abstraction from alphaC of glycine is both kinetically and thermodynamically favored over the NH2 group. The ordering of transition state energies for hydrogen abstraction from the alphaC and NH2 groups was found to reflect the radicals' EA ordering. 相似文献
5.
4-Morpholinoacetophenone thiosemicarbazone, MAPT, and its nickel(Ⅱ) and copper(Ⅱ) complexes have been prepared and characterized by elemental analysis, magnetic susceptibility, spectral methods (FT-IR, ^1H NMR) and cyclic voltammetry. Electrochemical behaviors of the complexes have been studied by cyclic voltammetry in DMF media showing metal centered reduction processes for both of them. The redox properties, nature of the electrode processes and the stability of the complexes were discussed. [Cu(MAPT)2]Cl2 complex shows Cu(Ⅱ)/Cu(Ⅰ) couple and quasi-reversible wave associated with the Cu(Ⅲ)/Cu(Ⅱ) process. The reduction/oxidation potential values depend on the structures of complexes. Also, the antimicrobial activities of these complexes were determined against S. aureus, E. coli and B. subtilis. 相似文献
6.
Bianca S. Shemper A. Ersin Acar Lon J. Mathias 《Journal of polymer science. Part A, Polymer chemistry》2002,40(3):334-343
The copper‐catalyzed atom transfer radical polymerization (ATRP) of poly(propylene glycol) methacrylate (PPGM) in solution to produce linear and starlike polymers is reported, using methylethyl ketone as the solvent and a temperature of 80 °C. The ATRP system used was efficient for polymerization of the functionalized monomer without protecting hydroxyl end groups of monomer. The polymerizations were consistent with “living” or controlled processes, as revealed by the linear evolution of molecular weight with conversion. Increasing the [M]0:[I]0 ratio resulted in increasing molecular weights, whereas the polydispersity indices remained low (Mw/Mn < 1.4) even at high conversion. Decreasing the [CuBr]0:[I]0 ratio resulted in lower conversions, slightly larger polydispersities, and decreased molecular weights, likely resulting from a lower initiation efficiency. Polymers were characterized by 1H and 13C NMR; molecular weights of polymers with low degrees of polymerization were estimated by end‐group analysis from 13C NMR spectra obtained using distortionless enhancement by polarization transfer and the gated decoupling techniques. © 2001 John Wiley & Sons, Inc. J Polym Sci Part A: Polym Chem 40: 334–343, 2002 相似文献
7.
Coherent state path integrals are shown in general to contain instantons with jumps at the boundaries, i.e., boundary points lying outside classical phase space. Inclusion of these instantons is shown to resolve the "missing quench paradox" in the magnetic molecule Fe8, i.e., the fact that the tunneling between the ground Zeeman states of this molecule is quenched at only four magnetic field values, instead of the ten that would be expected from the topological Berry phase between interfering instantons. An approximate formula is found for the location of the four remaining quenches. 相似文献
8.
Jing L Guler LP Nash JJ Kenttämaa HI 《Journal of the American Society for Mass Spectrometry》2004,15(6):913-919
An experimental method is described for obtaining quantitative selectivity information for H-atom abstraction by organic radicals from different sites of a substrate in the gas phase. The method is used to determine the selectivities of five different phenyl radicals toward the three different types of hydrogen atoms in ethanol. This experimental method involves studying the reactivities and selectivities of derivatives of the radicals that contain a chemically inert, charged group (distonic ions), which allows them to be manipulated in a Fourier-transform ion cyclotron resonance (FT-ICR) mass spectrometer. 相似文献
9.
Abe K Abe K Adachi I Ahn BS Aihara H Akatsu M Alimonti G Aoki K Asai K Asai M Asano Y Aso T Aulchenko V Aushev T Bakich AM Banas E Behari S Behera PK Beiline D Bondar A Bozek A Browder TE Casey BC Chang P Chao Y Cheon BG Choi SK Choi Y Doi Y Dragic J Eidelman S Enari Y Enomoto R Everton CW Fang F Fujii H Fujita Y Fukunaga C Fukushima M Garmash A Gordon A Gotow K Guler H Guo R Haba J Haji T Hamasaki H Hanagaki K Handa F Hara K Hara T Hastings NC Hayashi K Hayashii H Hazumi M Heenan EM Higuchi I 《Physical review letters》2001,86(15):3228-3232
We report a determination of the B(0)(d)-&B_(0)(d) mixing parameter Deltam(d) based on the time evolution of dilepton yields in Upsilon(4S) decays. The measurement is based on a 5.9 fb(-1) data sample collected by the Belle detector at KEKB. The proper-time difference distributions for same-sign and opposite-sign dilepton events are simultaneously fitted to an expression containing Deltam(d) as a free parameter. Using both muons and electrons, we obtain Deltam(d) = 0.463+/-0.008 (stat)+/-0.016 (syst) ps(-1). This is the first determination of Deltam(d) from time evolution measurements at the Upsilon(4S). We also place limits on possible CPT violations. 相似文献
10.
Abe K Abe K Abe R Adachi I Ahn BS Aihara H Akatsu M Alimonti G Asai K Asai M Asano Y Aso T Aulchenko V Aushev T Bakich AM Banas E Behari S Behera PK Beiline D Bondar A Bozek A Browder TE Casey BC Chang P Chao Y Chen KF Cheon BG Chistov R Choi SK Choi Y Dong LY Dragic J Drutskoy A Eidelman S Eiges V Enari Y Enomoto R Everton CW Fang F Fujii H Fukunaga C Fukushima M Gabyshev N Garmash A Gershon TJ Gordon A Gotow K Guler H Guo R Haba J Hamasaki H Hanagaki K Handa F Hara K Hara T Hastings NC 《Physical review letters》2001,87(9):091802
We present a measurement of the standard model CP violation parameter sin2 phi(1) based on a 29.1 fb(-1) data sample collected at the Upsilon(4S) resonance with the Belle detector at the KEKB asymmetric-energy e(+)e(-) collider. One neutral B meson is fully reconstructed as a J/psi K(S), psi(2S)K(S), chi(c1)K(S), eta(c)K(S), J/psi K(L), or J/psi K(*0) decay and the flavor of the accompanying B meson is identified from its decay products. From the asymmetry in the distribution of the time intervals between the two B meson decay points, we determine sin2 phi(1) = 0.99+/-0.14(stat)+/-0.06(syst). We conclude that we have observed CP violation in the neutral B meson system. 相似文献