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تسجيل مستخدم جديدTowards magnetic slowing of atoms and molecules
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We outline a method to slow paramagnetic atoms or molecules using pulsed magnetic fields. We also discuss the possibility of producing trapped particles by adiabatic deceleration of a magnetic trap. We present numerical simulation results for the slowing and trapping of molecular oxygen.
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Present routes to produce magnetic organic-based materials adopt a common strategy: the use of magnetic species (atoms, polyradicals, etc.) as building blocks. We explore an alternative approach which consists of selective hydrogenation of Polycyclic
Aromatic Hydrocarbons. Self-Consistent-Field (SCF) (Hartree-Fock and DFT) and multi-configurational (CISD and MCSCF) calculations on coronene and corannulene, both hexa-hydrogenated, show that the formation of stable high spin species is possible. The spin of the ground states is discussed in terms of the Hund rule and Liebs theorem for bipartite lattices (alternant hydrocarbons in this case). This proposal opens a new door to magnetism in the organic world.
We first give a short review of the ``local-current approximation (LCA), derived from a general variation principle, which serves as a semiclassical description of strongly collective excitations in finite fermion systems starting from their quantum-
mechanical mean-field ground state. We illustrate it for the example of coupled translational and compressional dipole excitations in metal clusters. We then discuss collective electronic dipole excitations in C$_{60}$ molecules (Buckminster fullerenes). We show that the coupling of the pure translational mode (``surface plasmon) with compressional volume modes in the semiclasscial LCA yields semi-quantitative agreement with microscopic time-dependent density functional (TDLDA) calculations, while both theories yield qualitative agreement with the recent experimental observation of a ``volume plasmon.
A beam of polar molecules can be focused and transported through an ac electric quadrupole guide. At a given ac frequency, the transmission of the guide depends on the mass-to-dipole-moment (m/textmu) ratio of the molecular quantum state. Here we pre
sent a detailed characterization of the m/textmu selector, using a pulsed beam of benzonitrile (C$_6$H$_5$CN) molecules in combination with rotational quantum state resolved detection. The arrival time distribution as well as the transverse velocity distribution of the molecules exiting the selector are measured as a function of ac frequency. The textmu/$Delta$textmu resolution of the selector can be controlled by the applied ac waveforms and a value of up to 20 can be obtained with the present setup. This is sufficient to exclusively transmit molecules in the absolute ground state of benzonitrile, or rather in quantum states that have the same m/textmu value as the ground state. The operation characteristics of the m/textmu selector are in quantitative agreement with the outcome of trajectory simulations.
Acene molecules (anthracene, tetracene, pentacene) and fullerene (C$_{60}$) are embedded in He nanodroplets (He$_N$) and probed by EUV synchrotron radiation. When resonantly exciting the He nanodroplets, the embedded molecules M are efficiently ioniz
ed by the Penning reaction $mathrm{He}_N^*+mathrm{M}rightarrowmathrm{He}_N + mathrm{M}^+ + e^-$. However, the Penning electron spectra are broad and structureless -- showing no resemblance neither with those measured by binary Penning collisions, nor with those measured for dopants bound to the He droplet surface. The similarity of all four spectra indicates that electron spectra of embedded species are substantially altered by electron-He scattering. Simulations based on elastic binary electron-He collisions qualitatively reproduce the measured spectra, but require the assumption of unexpectedly large He droplets.
It is demonstrated that in photoabsorption by endohedral atoms some atomic Giant resonances are almost completely destroyed while the others are totally preserved due to different action on it of the fullerenes shell. As the first example we discuss
the 4d10 Giant resonance in Xe@C60 whereas as the second serves the Giant autoionization resonance in Eu@C60. The qualitative difference comes from the fact that photoelectrons from the 4d Giant resonance has small energies (tens of eV) and are strongly reflected by the C60 fullerenes shell. As to the Eu@C60, Giant autoionization leads to fast photoelectrons (about hundred eV) that go out almost untouched by the C60 shell. As a result of the outgoing electrons energy difference the atomic Giant resonances will be largely destroyed in A@C60 while the Giant autoionization resonance will be almost completely preserved. Thus, on the way from Xe@C60 Giant resonance to Eu@C60 Giant autoionization resonance the oscillation structure should disappear. Similar will be the decrease of oscillations on the way from pure Giant to pure Giant autoionization resonances for the angular anisotropy parameters. At Giant resonance frequencies the role of polarization of the fullerenes shell by the incoming photon beam is inessential. Quite different is the situation for the outer electrons in Eu@C60, the photoionization of which will be also considered.
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