Helium
droplets provide the possibility to study phenomena at the
very low temperatures at which quantum mechanical effects are more
pronounced and fewer quantum states have significant occupation probabilities.
Understanding the migration of either positive or negative charges
in liquid helium is essential to comprehend charge-induced processes
in molecular systems embedded in helium droplets. Here, we report
the resonant formation of excited metastable atomic and molecular
helium anions in superfluid helium droplets upon electron impact.
Although the molecular anion is heliophobic and migrates toward the
surface of the helium droplet, the excited metastable atomic helium
anion is bound within the helium droplet and exhibits high mobility.
The atomic anion is shown to be responsible for the formation of molecular
dopant anions upon charge transfer and thus, we clarify the nature
of the previously unidentified fast exotic negative charge carrier
found in bulk liquid helium.
Helium has a unique phase diagram and below 25 bar it does not form a solid even at the lowest temperatures. Electrostriction leads to the formation of a solid layer of helium around charged impurities at much lower pressures in liquid and superfluid helium. These so-called ‘Atkins snowballs' have been investigated for several simple ions. Here we form HenC60+ complexes with n exceeding 100 via electron ionization of helium nanodroplets doped with C60. Photofragmentation of these complexes is measured by merging a tunable narrow-bandwidth laser beam with the ions. A switch from red- to blueshift of the absorption frequency of HenC60+ on addition of He atoms at n=32 is associated with a phase transition in the attached helium layer from solid to partly liquid (melting of the Atkins snowball). Elaborate molecular dynamics simulations using a realistic force field and including quantum effects support this interpretation.
The Virtual Atomic and Molecular Data Centre (VAMDC) Consortium is a worldwide consortium which federates atomic and molecular databases through an e-science infrastructure and an organisation to support this activity. About 90% of the inter-connected databases handle data that are used for the interpretation of astronomical spectra and for modelling in many fields of astrophysics. Recently the VAMDC Consortium has connected databases from the radiation damage and the plasma communities, as well as promoting the publication of data from Indian institutes. This paper describes how the VAMDC Consortium is organised for the optimal distribution of atomic and molecular data for scientific research. It is noted that the VAMDC Consortium strongly advocates that authors of research papers using data cite the original experimental and theoretical papers as well as the relevant databases.
Nitroimidazoles are important compounds with chemotherapeutic applications as antibacterial drugs or as radiosensitizers in radiotherapy. Despite their use in biological applications, little is known about the fundamental properties of these compounds. Understanding the ionization reactions of these compounds is crucial in evaluating the radiosensitization potential and in developing new and more effective drugs. Thus, the present study investigates the decomposition of negative and positive ions of 2-nitroimidazole and 4(5)-nitroimidazole using low- and high-energy Collision-Induced Dissociation (CID) and Electron-Induced Dissociation (EID) by two different mass spectrometry techniques and is supported by quantum chemistry calculations. EID of [M+H](+) leads to more extensive fragmentation than CID and involves many radical cleavages including loss of H˙ leading to the formation of the radical cation, M˙(+). The stability (metastable decay) and the fragmentation (high-energy CID) of the radical cation M˙(+) have been probed in a crossed-beam experiment involving primary electron ionization of the neutral nitroimidazole. Thus, fragments in the EID spectra of [M+H](+) that come from further dissociation of radical cation M˙(+) have been highlighted. The loss of NO˙ radical from M˙(+) is associated with a high Kinetic Energy Release (KER) of 0.98 eV. EID of [M-H](-) also leads to additional fragments compared to CID, however, with much lower cross section. Only EID of [M+H](+) leads to a slight difference in the decomposition of 2-nitroimidazole and 4(5)-nitroimidazole.
In 2015, Campbell et al. (Nature 523, 322) presented spectroscopic laboratory gas phase data for the fullerene cation, C + 60 , that coincide with reported astronomical spectra of two diffuse interstellar band (DIB) features at 9633 and 9578 Å. In the following year additional laboratory spectra were linked to three other and weaker DIBs at 9428, 9366, and 9349 Å. The laboratory data were obtained using wavelength-dependent photodissociation spectroscopy of small (up to three) He-tagged C + 60´H e n ion complexes, yielding rest wavelengths for the bare C
The effects of interactions between He − and clusters of fullerenes in helium nanodroplets are described. Electron transfer from He − to (C 60 ) n and (C 70 ) n clusters results in the formation of the corresponding fullerene cluster dianions. This unusual double electron transfer appears to be concerted and is most likely guided by electron correlation between the two very weakly bound outer electrons in He − . We suggest a mechanism which involves long range electron transfer followed by the conversion of He + into He 2 + , where formation of the He-He bond in He 2 + releases sufficient kinetic energy for the cation and the dianion to escape their Coulombic attraction. By analogy with the corresponding dications, the observation of a threshold size of n ≥ 5 for formation of both (C 60 ) n 2− and (C 70 ) n 2− is attributed to Coulomb explosion rather than an energetic constraint. We also find that smaller dianions can be observed if water is added as a co-dopant. Other aspects of He − chemistry that are explored include its role in the formation of multiply charged fullerene cluster cations and the sensitivity of cluster dianion formation on the incident electron energy. C
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