Negative ions of hydrogenated and deuterated C60 fullerenes

This paper reports on the results of mass spectrometric and theoretical investigations of hydrogenated and deuterated fullerene derivatives C₆₀H(D)_x. The formation and decay (through electron autodetachment) of negative molecular ions of the C₆₀H₁₈ and C₆₀D₁₈ hydrofullerenes are discussed. A comparative analysis of these processes is performed for different fullerene derivatives.     

The photoelectron spectra of cyclooctatetraene and its hydrogenated derivatives

The photoelectron spectrum of cyclooctatetraene (COT; 1) has been re-examined. Correlation with the spectra of the dihydro- (2, 3), tetrahydro- (4, 5, 6), hexahydro- (7) and octahydro- (8) derivatives confirms the orbital sequence originally proposed by Eland, namely 5a₁ (π), 7e (π), 4b₂ (π), σ. It is shown that the positions and the relative spacing of the π-orbitals are the result of a competition between through-space and through-bond interactions.The photoelectron spectroscopic results for the hydrogenated derivatives of COT yield information about their conformation; in particular about the twist angles between consecutive π-bonds. The spectrum of 1,5-cyclooctadiene (6) confirms that this molecule preferentially adopts the boat conformation.An empirical rule is proposed which yields estimates for the orbital energies of basis π-orbitals in monocyclic hydrocarbons.     

Negative ions in liquid xenon

The structure and mobility of negative ions of oxygen in liquid Xe is investigated. It is shown that the strong exchange interaction of the outer, weakly bound electron of the negative ion with the surrounding liquid leads to a partial compensation of the electrostriction effect, and it prevents the formation of a solid cluster around the negative ion. A simple perturbative model describing the structure of the negative ion in the liquid matrix is developed. The mobility of O ₂ ⁻ ions in liquid Xe on the saturation line is estimated. The reasons for the difference in mobility of negative and positive ions are discussed. Zh. éksp. Teor. Fiz. 115, 584–592 (February 1999) Published in English in the original Russian journal. Reproduced here with stylistic changes by the Translation Editor.     

Rotation and alignment of diatomic molecules and their molecular ions in strong laser fields

A theory of classical rotation and alignment of diatomic molecules with and without permanent dipole moments and of their molecular ions in strong laser fields is developed. The actions of both cw and pulsed laser fields is considered. Conditions under which molecular axes are aligned with the field, which is presumed to be linearly polarized, have been determined. The analysis leads to a conclusion that molecules exposed to ultrashort laser pulses continue to rotate even after the end of the laser pulse. The effect of dynamical chaos on the rotational angular velocity in strong laser field is discussed. Zh. éksp. Teor. Fiz. 113, 573–582 (February 1998)     

基于阈值光电子-光离子符合技术的分子离子光谱和解离动力学研究

对电子和离子同时采用速度聚焦电场收集的阈值光电子-光离子符合成像谱仪能够有效提高电子的收集效率和能量分辨率.利用该符合成像谱仪,开展了Xe/Ar/Ne 惰性混合气体及NO 分子的阈值光电子谱、阈值光电子-光离子符合质谱和质量选择的符合光谱等实验研究,精确测量了NO 分子的电离势,并且获得了NO⁺离子振动态分辨的X¹Σ⁺,c³Π和B^{1相似文献}   

Blackbody-radiation-assisted laser cooling of molecular ions

The translational motion of molecular ions can be effectively cooled sympathetically to temperatures below 100 mK in ion traps through Coulomb interactions with laser-cooled atomic ions. The distribution of internal rovibrational states, however, gets in thermal equilibrium with the typically much higher temperature of the environment within tens of seconds. We consider a concept for rotational cooling of such internally hot, but translationally cold, heteronuclear diatomic molecular ions. The scheme relies on a combination of optical pumping from a few specific rotational levels into a "dark state" with redistribution of rotational populations mediated by blackbody radiation.     

High-precision spectroscopy of hydrogen molecular ions

In this paper, we overview recent advances in high-precision structure calculations of the hydrogen molecular ions(H+2and HD+), including nonrelativistic energy eigenvalues and relativistic and quantum electrodynamic corrections. In combination with high-precision measurements, it is feasible to precisely determine a molecular-based value of the protonto-electron mass ratio. An experimental scheme is presented for measuring the rovibrational transition frequency(v, L) :(0, 0) →(6, 1) in HD+, which is currently underway at the Wuhan Institute of Physics and Mathematics.     

Long-range potentials of polyatomic molecular ions

The potential energy surface of HeH2/+ is used to illustrate the factors that arise when there is degeneracy in the electronic states of the charged fragments at dissociation limits. At short H-H distances the positive charge is shared equally between the two atoms. At large H-H distances, but one short H-He distance, the charge resides on one of the hydrogen atoms. These limits and intermediate situations, affect the induction and dispersion contributions on the HeH2/+ potential energy surface.     

热收缩化合物——负热膨胀性及成因

文章综述了负热膨胀化合物、负热膨胀机理与应用等方面的进展.负热膨胀是最近十多年来新兴的研究领域,目前已经发现较多化合物具有负热膨胀性能,它们广泛分布在类似ZrW2O8开放式框架结构化合物、磁性合金、反钙钛矿结构的Mn3AX、PbTiO3基铁电化合物、纳米颗粒等领域.在负热膨胀机理研究方面,原子热振动机理研究相对充分,成功地解释了一部分框架式结构化合物负热膨胀机理;然而,较多负热膨胀起源与非振动机理相关,如：物质磁性、铁电性、电子作用、纳米尺寸效应等.文章最后从实际应用角度出发对未来负热膨胀材料研究进行了展望.     

囚禁状态冷分子离子制备及应用

冷分子离子,尤其是在离子阱中空间囚禁起来的冷分子离子具有空间定域、可长时间存储以及和与环境分离的特性。这些特性使得空间囚禁的冷分子离子在分子光谱精密测量、探测分子离子与中性分子之间的碰撞反应等方面越来越受到人们的重视,并在最近几年得到了快速的发展。文章介绍了冷分子离子的产生方法,及其近几年在精密测量和低温下的碰撞反应等研究领域取得的主要研究成果。     

Large supercell molecular dynamics study of defect formation in hydrogenated amorphous silicon

We have performed molecular dynamics simulations of the defect formation associated with the Staebler-Wronski (SW) effect in a-Si:H using 224 and 231 atom supercells and employing semiempirical Si-Si and Si-H total energy functionals. The role of hydrogen in the defect formation within the bond breaking model of the SW effect has been investigated for both large supercells. The results suggest that, within this model, H can be important in weakening the normal Si-Si bonds which break to produce defects in the SW effect.     

Mechanical properties of thin films of hydrogenated silicon and their relationship with microstructure

Thin films of hydrogenated silicon were deposited on glass and single-crystalline silicon substrates using a capacitively coupled radio-frequency plasma-enhanced vapor-deposition system with the help of direct-current bias stimulation. Micro-Raman scattering was applied to investigate the microstructure of the thin films obtained. The crystalline volume fraction, X _c, was obtained from the Raman spectra. Microscopic mechanical characterization of the thin films was carried out by nanoindentation based on the conventional depth-sensing indentation method. An analytical relation between X _c and the elastic modulus was thereby established. The elastic modulus of the film on a glass substrate was found to be lower than that of the film on a monocrystalline silicon substrate with the same X _c. The grain size of a phosphorus-doped thin film was smaller than that of the intrinsic one, with greater ordering of the grains and X _c was found to be usually above 40%. A film with boron doping was on the opposite side, with X _c usually below 40%. In the phosphorus-doped, intrinsic, and boron-doped films, the elastic moduli were lower when the X _c values were 45%, 30%, and 15%, respectively.     

Mesoscopic molecular ions in Bose-Einstein condensates

We study the possible formation of large (mesoscopic) molecular ions in an ultracold degenerate bosonic gas doped with charged particles (ions). We show that the polarization potentials produced by the ionic impurities are capable of capturing hundreds of atoms into loosely bound states. We describe the spontaneous formation of these hollow molecular ions via phonon emission and suggest an optical technique for coherent stimulated transitions of condensate atoms into a specific bound state. These results open up new possibilities for manipulating tightly confined ensembles.     

Resonant formation of ddµ molecular ions

Calculations of the ddµ formation rate were performed beyond the dipole approximation. In the temperature rangeT=25–150 K the results are in good agreement with the Vienna-PSI fusion rate data. The calculated spin flip rate is also closer to experiment than in the dipole approximation. New experiments for the verification of the finite width theory are discussed.