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排序方式: 共有1150条查询结果,搜索用时 93 毫秒
1.
Dr. Zaifa Shi Dr. Yihuang Jiang Dr. Jingxiong Yu Prof. Shanjun Chen Prof. Jun Chen Prof. Zichao Tang Prof. Lansun Zheng 《Chemistry (Weinheim an der Bergstrasse, Germany)》2022,28(8):e202103546
At present, the reactivity of cyclic alkanes is estimated by comparison with acyclic hydrocarbons. Due to the difference in the structure of cycloalkanes and acycloalkanes, the thermodynamic data obtained by analogy are not applicable. In this study, a molecular beam sampling vacuum ultraviolet photoionization time-of-flight mass spectrometer (MB-VUV-PI-TOFMS) was applied to study the low-temperature oxidation of cyclopentane (CPT) at a total pressure range from 1–3 atm and low-temperature range between 500 and 800 K. Low-temperature reaction products including cyclic olefins, cyclic ethers, and highly oxygenated intermediates (e. g., ketohydroperoxide KHP, keto-dihydroperoxide KDHP, olefinic hydroperoxides OHP and ketone structure products) were observed. Further investigation of the oxidation of CPT – electronic structure calculations – were carried out at the UCCSD(T)-F12a/aug-cc-pVDZ//B3LYP/6-31+ G(d,p) level to explore the reactivity of O2 molecules adding sequentially to cyclopentyl radicals. Experimental and theoretical observations showed that the dominant product channel in the reaction of CPT radicals with O2 is HO2 elimination yielding cyclopentene. The pathways of second and third O2 addition – the dissociation of hydroperoxide – were further confirmed. The results of this study will develop the low-temperature oxidation mechanism of CPT, which can be used for future research on accurately simulating the combustion process of CPT. 相似文献
2.
K. Batra V. Prasad M. Mohan 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2002,20(2):191-198
The scattering of heavy ion with a multilevel Rydberg atom in the presence of an electromagnetic field is studied. The interaction
of Rydberg atom and the e.m field is explored using non-perturbative quasi-energy technique. Although the results are presented
for selected excitations but in actual calculations we have included many levels of the atom. The effect of various parameters
are shown on collisional excitation process. As an illustration detailed calculations are performed for the inelastic proton-Na
Rydberg atom collision accompanied by the transfer of photons and the effects of dressing due to the field are considered.
The emphasis of the present work is on collision induced transitions especially the case that involves change of orbital as
well as principal quantum number.
Received 26 December 2001 / Received in final form 8 April 2002 Published online 19 July 2002 相似文献
3.
K. C. Kumara Swamy E. Balaraman M. Phani Pavan N. N. Bhuvan Kumar K. Praveen Kumar N. Satish Kumar 《Journal of Chemical Sciences》2006,118(6):495-501
The diversity of products in the reaction of diethyl azodicarboxylate (DEAD)/diisopropyl azodicarboxylate (DIAD) and activated
acetylenes with PIII compounds bearing oxygen or nitrogen substituents is discussed. New findings that are useful in understanding the nature
of intermediates involved in the Mitsunobu reaction are highlighted. X-ray structures of two new compounds (2-t-Bu-4-MeC6H3O)P (μ-N-t-Bu)2P+[(NH-t-Bu)N[(CO2]-i-Pr)(HNCO2-i-Pr)]](Cl-)(2-t-Bu-4-MeC6H3OH)(23)and [CH2(6-t-Bu-4-Me-C6H2O)2P(O)C(CO2Me)C-(CO2Me)CClNC(O)Cl] (33) are also reported. The structure of23 is close to one of the intermediates proposed in the Mitsunobu reaction. 相似文献
4.
报道了用高电荷态离子129Xe30+(150keV) 轰击金属Ni表面,激发的200—1000nm NiⅠ和NiⅡ的特征光谱线的实验结果.实验结果表明:用电荷态足够高的离子作光谱 激发源,无需很强的束流强度(nA量级),便可有效地产生原子和离子的复杂组态间跃迁所 形成的可见光波段的特征谱线,特别是NiⅠ和NiⅡ偶极禁戒的电四极跃迁E2和磁偶极跃迁M1 的特征光谱线.通过分析发现,在禁戒跃迁的谱线中,有些是电子组态相同而原子态不同的 偶极禁戒跃迁光谱线而且NiⅡ的684.84nm谱线较强.
关键词:
光谱
禁戒跃迁
电子组态
高电荷态离子 相似文献
5.
John M. Brown 《Journal of organometallic chemistry》2004,689(24):4006-4015
An overview of the contribution of NMR to the development of our understanding of homogeneous catalysis is presented, with an emphasis on work from the author’s research group. 相似文献
6.
P. Schlagheck A. Buchleitner 《The European Physical Journal D - Atomic, Molecular, Optical and Plasma Physics》2003,22(3):401-415
We provide a detailed quantum treatment of the spectral characteristics and of the dynamics of nondispersive two-electron
wave packets along the periodically driven, collinear frozen planet configuration of helium. These highly correlated, long-lived
wave packets arise as a quantum manifestation of regular islands in a mixed classical phase space, which are induced by nonlinear
resonances between the external driving and the unperturbed dynamics of the frozen-planet configuration. Particular emphasis
is given to the dependence of the ionization rates of the wave packet states on the driving field parameters and on the quantum
mechanical phase space resolution, preceded by a comparison of 1D and 3D life times of the unperturbed frozen planet. Furthermore,
we study the effect of a superimposed static electric field component, which, on the grounds of classical considerations,
is expected to stabilize the real 3D dynamics against large (and possibly ionizing) deviations from collinearity.
Received 7 November 2002 / Received in final form 2 December 2002 Published online 28 January 2003 相似文献
7.
N-Acylalkylation of neutral and anionic N-nucleophiles with α-halocarbonyl compounds was investigated by quantum chemical methods
in terms of the density functional theory and by experimental methods for 2,3-dihydroimidazo[2,1-b]quinazolin-1(10)H-5-one, its N-anion, and simpler model structures. High reactivity of these reagents is determined primarily by stabilization
of transition states (TS) by bridge bonds involving halogen or nitrogen atoms rather than by conjugation, as has been commonly
accepted. Bridged TS are formed by both the substitution mechanism S
N
2 and the addition-elimination mechanism. α-Haloalkyl-substituted zwitterions, which are potential intermediates of stepwise
N-acylalkylation of neutral N-nucleophiles, do not exist in the isolated state, but they are rather efficiently stabilized
upon solvation. These zwitterions, as well as analogous O-anions generated from anionic N-nucleophiles, can serve as intermediates
of N-acylalkylation, as was demonstrated by localization of the corresponding TS.
Published in Russian in Izvestiya Akademii Nauk. Seriya Khimicheskaya, No. 6, pp. 1150–1164, June, 2007. 相似文献
8.
The oxidation of aminoethanethiol (1) was investigated in acid solutions on a glass carbon anode. It was shown that at relatively low anode potentials thiyl radicals RS· are released into the solution, but this does not lead to binding of the oxygen in the solution. Raising the anode potential leads to binding of oxygen, which is probably due to the formation of the intermediate RS+. The oxidation of 1 was studied in Ce(SO4)2+H2SO4 solution. It was shown that under certain conditions the intermediate is RS+, which subsequently converts to a product that could not be identified as any previously described product of the oxidation of thiols. Proposals are made regarding its structure and conversion pathways.B. P. Konstantinov Institute of Nuclear Physics, Russian Academy of Sciences, 188350 Leningrad. Translated from Izvestiya Akademii Nauk, Seriya Khimicheskaya, No. 2, pp. 278–288, February, 1992. 相似文献
9.
新型高色纯度弱电流猝灭性蓝色有机发光器件 总被引:1,自引:0,他引:1
以ADN为基质,分别以不同掺杂剂制备了四种蓝色有机发光器件,器件结构为:CuPc(12 nm)/NPB(40 nm)/AND∶Dopant(50 nm)/Alq(12 nm)/LiF(4 nm)/Al。掺杂剂有:BCzVB(amino-substituted distyrylarylenederivatives)、TBPe、BCzVBi和DSA-ph四种。研究了最佳掺杂浓度以及器件的亮度、电流密度、效率和色坐标等电学特性和光学特性。其中掺杂BCzVB制备了色纯度高、低电流猝灭性的蓝色有机发光器件,色坐标达到x=0.146,y=0.162,最大亮度为11600 cd/m2(15 V),电流效率为2.8 cd/A,流明效率为1.79 lm/W;以ADN为基质,分别以TBPe、BCzVBi和DSA-ph为掺杂剂,制备了另外三种对比器件。器件ADN∶TBPe色坐标为x=0.162,y=0.222(蓝绿光),效率随电流的增加而降低很快;器件ADN∶BczVBi有较好的色纯度(色坐标:x=0.164,y=0.146),但电流效率较低:2.03 cd/A,效率随电流的增加降低幅度也较快。器件ADN∶DSA-ph效率较高为8 cd/A,效率随电流增加变化幅度不大,但色纯度比较差(x=0.153,y=0.306),适合于做白色有机发光器件。 相似文献
10.