V₃Si₁₂⁻ has a bicapped hexagonal antiprism structure and exhibits ferromagnetic behavior.

We have measured the photoelectron spectra of mass-selected magnesium cluster anions, Mg- n, over size range, n=3-35. Their s-p band gaps were observed to close at n=18, signaling onset metallic behavior. Electronic shell structure was implicated by gap "reopenings" and mass spectral magic numbers. Complementary calculations are presented in companion paper [P. H. Acioli J. Jellinek, Phys. Rev. Lett. 89, 213402 (2002)]].

( Cobalt ) n benzene m − cluster anions, (n,m) were generated by laser vaporization and studied both mass spectrometry anion photoelectron spectroscopy. Our assignment of the spectrum (1,2) suggests that it possesses a sandwich structure with cobalt atom located between two parallel rings, ground state this is singlet, its corresponding neutral doublet. The spectra cobalt-rich anions form (n,1) are interpreted as metal which have been solvent-stabilized their interaction with, in each case,...

Water ice is abundant both astrophysically, for example in molecular clouds, and planetary systems. The Kuiper belt objects, many satellites of the outer solar system, nuclei comets some rings are all known to be water-rich. Processing water by energetic particles ultraviolet photons plays an important role astrochemistry. To explore detailed nature this processing, we have conducted a systematic laboratory study irradiation crystalline ultrahigh vacuum setup electrons holding linear energy...

Although ZrO2 and HfO2 are, for the most part, quite similar chemically, subtle differences in their electronic structures appear to be responsible differing MO2/Si (M = Zr, Hf) interface stabilities. To shed light on structure between HfO2, we have conducted joint experimental theoretical studies. Because molecular electron affinities are a sensitive probe of structure, measured them by conducting photoelectron spectroscopic experiments ZrO2- HfO2-. The adiabatic affinity was determined...

China has undergone massive socio-economic change over the past 30 years. In parallel, there have been huge changes in social and sexual mores. Until end of Mao era strict norms prevailed, with sex outside marriage widely regarded as immoral unacceptable. Detraditionalisation theory describes abandonment or reconfiguration socio-cultural traditions explored Western settings. This study aimed to explore its relevance for through exploring attitudes towards premarital sex, extramarital...

The structural, electronic and magnetic properties of VGen–/0 (n = 3–12) clusters were investigated using anion photoelectron spectroscopy in combination with density functional theory calculations. We found that the dominant geometries are exohedral for n ≤ 7. VGe8–/0 have half-encapsulated boat-shaped structures, opening structure is gradually covered by additional Ge atoms to form Gen cage from 9–11. At 12, a D3d distorted hexagonal prism formed. According natural population analysis,...

This study aimed to investigate the potential mediating role of neurofilament light chain (NfL) level between depressive symptoms and cognitive function in older population. A total 495 adults (age ≥60 years) from National Health Nutrition Examination Survey (NHANES) participated this study. Cognitive was assessed using a combination Animal Fluency Test (AFT), Consortium Establish Registry for Alzheimer's Disease (CERAD) Digit Symbol Substitution (DSST). Word List Learning Test. Patient...

The photoelectron spectra of chromium-doped silicon cluster anions, CrSi-(n), were measured over the size range, n=8-12. Their vertical detachment energies to be 2.71, 2.88, 2.87, 2.95, and 3.18 eV, respectively. Our results support theoretical calculations by Khanna, Rao, Jena [Phys. Rev. Lett. 89, 016803 (2002)] which found CrSi12 an enhanced stability (magic) with its chromium atom encapsulated inside a cage magnetic moment completely quenched effects surrounding cage.

Chromium-doped silicon clusters, CrSin−(n = 3–12), were investigated with anion photoelectron spectroscopy and density functional theory calculations. The combination of experimental measurement theoretical calculations reveals that the onset endohedral structure in CrSin− clusters occurs at n 10 magnetic properties are correlated to their geometric structures. most stable isomers from 3 9 have exohedral structures moments 3–5μB while those CrSi10−, CrSi11−, CrSi12− 1μB.

Abstract A series of cobalt‐doped germanium clusters, CoGe n −/0 ( =2–11), are investigated by using anion photoelectron spectroscopy combined with density functional theory calculations. For both anionic and neutral =2–11) the critical size transition from exo‐ to endohedral structures is =9. Natural population analysis shows that there electron transfer Ge framework Co atom at =7–11 for clusters. The magnetic moments clusters decrease lowest values =10 11. electrons minimization related...

Vanadium-doped silicon cluster anions, V3Sin– (n = 3–14), have been generated by laser vaporization and investigated anion photoelectron spectroscopy. The vertical detachment energies (VDEs) adiabatic (ADEs) of these clusters were obtained. Meanwhile, genetic algorithm (GA) combined with density functional theory (DFT) calculations are employed to determine their ground-state structures systematically. Excellent agreement is found between experiment. Among the clusters, V3Si5–, V3Si9–,...

In order to understand the microsolvation of LiI and CsI in water provide information about dependence solvation processes on different ions, we investigated LiI(H2O)n(-) CsI(H2O)n(-) (n = 0-6) clusters using photoelectron spectroscopy. The structures these their corresponding neutrals were with ab initio calculations confirmed by comparing spectroscopy experiments. Our studies show that structural evolutions LiI(H2O)n CsI(H2O)n are very different. Li-I distance increases abruptly at n 3,...

Recent lab and field measurements have indicated critical roles of organic acids in enhancing new atmospheric aerosol formation. Such findings stimulated theoretical studies with the aim understanding interaction common nucleation precursors like bisulfate (HSO4(-)). We report a combined negative ion photoelectron spectroscopic investigation molecular clusters formed by HSO4(-) succinic acid (SUA, HO2C(CH2)2CO2H), HSO4(-)(SUA)n (n = 0-2), along HSO4(-)(H2O)n HSO4(-)(H2SO4)n. It is found that...

AuSin– (n = 4–12) clusters were produced with a laser vaporization source and investigated by photoelectron spectroscopy. The swarm-intelligence-based CALYPSO structure search method ab initio calculations employed to determine their ground-state structures. results revealed that the most stable isomers of cluster anions are all exohedral structures, in which Au atom caps vertex, edge, or surface bare Sin clusters. endohedral structures neutral AuSi11 nearly degenerate energy. AuSi12 is...

We conducted a combined anion photoelectron spectroscopy and density functional theory study on V2Si20 cluster. Our results show that the cluster has an elongated dodecahedron cage structure with V2 unit encapsulated inside cage. It is smallest fullerene-like silicon can be used as building block to make cluster-assembled materials, such pearl-chain style nanowires.

Gold-doped germanium clusters, AuGen(-) (n = 2-12), were investigated by using anion photoelectron spectroscopy in combination with ab initio calculations. Their geometric structures determined comparison of the theoretical calculations experimental results. The results show that most stable isomers n 2-10 are all exohedral Au atom capping vertex, edge or face Gen while AuGe11(-) is found to be critical size endohedral structure. Interestingly, AuGe12(-) has an Ih symmetric icosahedral...

Abstract We present a combined experimental and theoretical study of ruthenium doped germanium clusters, RuGe n − ( = 3–12) their corresponding neutral species. Photoelectron spectra clusters are measured at 266 nm. The vertical detachment energies (VDEs) adiabatic (ADEs) obtained. Unbiased CALYPSO structure searches confirm the low-lying structures anionic in size range 3 ≤ 12. Subsequent geometry optimizations using density functional theory (DFT) PW91/LANL2DZ level carried out to...

Niobium-doped silicon clusters, NbSin− (n = 3–12), were generated by laser vaporization and investigated anion photoelectron spectroscopy. The structures electronic properties of anions their neutral counterparts with ab initio calculations compared the experimental results. It is found that Nb atom in NbSin−/0 prefers to occupy high coordination sites form more Nb–Si bonds. most stable NbSi3–7−/0 are all exohedral face-capping Sin frameworks. At n 8, both adopt a boat-shaped structure...

We present a joint experimental and theoretical study on double iron atom doped germanium clusters, Fe2Gen–/0 (n = 3–12). The photoelectron spectra of cluster anions are reasonably reproduced by simulations. low-lying structures the iron-doped semiconductor clusters obtained using an ab initio computation-based genetic-algorithm global optimization method. find that smaller-sized Fe2Gen– 3–8) adopt bipyramid-based geometries, while larger ones ≥ 9) polyhedral cagelike with one interior Fe...

We measured the photoelectron spectra of Nb2Sin– (n = 2–12) anions and investigated geometric structures electronic properties their neutral counterparts with ab initio calculations. The most stable Nb2Sin–/0 clusters can be regarded as a central axis Nb2 surrounded by Si atoms. isomers are in spin doublet states, while those singlet states. results showed that two Nb atoms incline to form strong Nb–Nb bond also prefer occupy high coordination sites more Nb–Si bonds. anionic Nb2Si3...

Abstract Catalytic CO oxidation by molecular O 2 is an important model reaction in both the condensed phase and gas‐phase studies. Available studies indicate that noble metal indispensable catalytic under thermal collision conditions. Herein, we identified first example of noble‐metal‐free heteronuclear oxide cluster catalysts, copper–vanadium bimetallic clusters Cu VO 3–5 − for . The reactions were characterized mass spectrometry, photoelectron spectroscopy, density functional calculations....

A systematic structure and property investigation of MnGen− (n = 3–14) was conducted by means density functional theory coupled with mass-selected anion photoelectron spectroscopy. This combined theoretical experimental study allows global minimum coexistence structures to be identified. It is found that the pentagonal bipyramid shape basic framework for nascent growth process 3–10), from n 10, endohedral can found. For 12, MnGe12− cluster probably includes two isomers: a major isomer...