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  • 1
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    Photoelectron imaging spectroscopy of niobium mononitride anion NbN− (2016)
    American Institute of Physics (AIP)
    Details
    Publication Date: 2016-07-16
    Description: In this gas-phase photoelectron spectroscopy study, we present the electron binding energy spectrum and photoelectron angular distributions of NbN − by the velocity-map imaging technique. The electron binding energy of NbN − is measured to be 1.42 ± 0.02 eV from the X band maximum which defines the 0-0 transition between ground states of anion and neutral. Theoretical binding energies which are the vertical and adiabatic detachment energies are computed by density functional theory to compare them with experiment. The ground state of NbN − is assigned to the 2 Δ 3/2 state and then the electronic transitions originating from this state into X 3 Δ Ω (Ω = 1-3), a 1 Δ 2 , A 3 Σ 1 − , and b 1 Σ 0 + states of NbN are reported to interpret the spectral features. As a prospective study for catalytic materials, spectral features of NbN − are compared with those of isovalent ZrO − and Pd − .
    Print ISSN: 0021-9606
    Electronic ISSN: 1089-7690
    Topics: Chemistry and Pharmacology , Physics
    Published by American Institute of Physics (AIP)
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  • 2
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    Laser chemistry. Keeping reactions under quantum control (2001)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2001-05-02
    Description: 〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Hurley, S M -- Castleman, A W Jr -- New York, N.Y. -- Science. 2001 Apr 27;292(5517):648-9.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry, Pennsylvania State University, University Park, PA 16802, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/11330323" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 3
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    Ti8C12+-Metallo-Carbohedrenes: A New Class of Molecular Clusters? (1992)
    American Association for the Advancement of Science (AAAS)
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    Publication Date: 1992-03-13
    Description: During the course of studying the dehydrogenation reactions of hydrocarbons by titanium atoms, ions, and clusters, an exceptionally stable and abundant cluster which contains 8 titaniums and 12 carbons was discovered. "Titration" reactions with ND(3) reveal the uptake of eight molecules, pointing to the fact that the titanium atoms are at exposed positions of similar coordination. A dodecahedral structure of T(h) point group symmetry is proposed to account for the unusual stability of this molecular cluster. The Ti(8)C(12)(+) dodecahedron has 12 pentagonal rings and each of the rings is formed by two titanium and three carbon atoms, where each titanium is bound to three carbons. Based on the model, it is expected that neutral Ti(8)C(12) would be a stable metallo-carbododecahedral molecule and may comprise one member of a new class of molecules, namely metallo-carbohedrenes.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Guo, B C -- Kerns, K P -- Castleman, A W Jr -- New York, N.Y. -- Science. 1992 Mar 13;255(5050):1411-3.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/17801229" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 4
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    Metallo-Carbohedrenes [M8C12+ (M = V, Zr, Hf, and Ti)]: A Class of Stable Molecular Cluster Ions (1992)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 1992-04-24
    Description: Findings of magic peaks corresponding to M(8)C(12)(+) (M = V, Zr, and Hf) formed from reactions of the respective metals with various small hydrocarbons, in conjunction with recent findings for the titanium system, establish metallo-carbohedrenes as a stable general class of molecular cluster ions. A dodecahedral structure of T(h) point symmetry accounts for the stability of these ionic clusters.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Guo, B C -- Wei, S -- Purnell, J -- Buzza, S -- Castleman, A W Jr -- New York, N.Y. -- Science. 1992 Apr 24;256(5056):515-6.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/17787948" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 5
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    Complementary active sites cause size-selective reactivity of aluminum cluster anions with water (2009)
    American Association for the Advancement of Science (AAAS)
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    Publication Date: 2009-01-24
    Description: The reactions of metal clusters with small molecules often depend on cluster size. The selectivity of oxygen reactions with aluminum cluster anions can be well described within an electronic shell model; however, not all reactions are subject to the same fundamental constraints. We observed the size selectivity of aluminum cluster anion reactions with water, which can be attributed to the dissociative chemisorption of water at specific surface sites. The reactivity depends on geometric rather than electronic shell structure. Identical arrangements of multiple active sites in Al16-, Al17-, and Al18- result in the production of H2 from water.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Roach, Patrick J -- Woodward, W Hunter -- Castleman, A W Jr -- Reber, Arthur C -- Khanna, Shiv N -- New York, N.Y. -- Science. 2009 Jan 23;323(5913):492-5. doi: 10.1126/science.1165884.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Departments of Chemistry and Physics, Pennsylvania State University, University Park, PA 16802, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/19164745" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 6
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    Formation of Al13I-: evidence for the superhalogen character of Al13 (2004)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2004-04-03
    Description: Al13- is a cluster known for the pronounced stability that arises from coincident closures of its geometric and electronic shells. We present experimental evidence for a very stable cluster corresponding to Al13I-. Ab initio calculations show that the cluster features a structurally unperturbed Al13- core and a region of high charge density on the aluminum vertex opposite from the iodine atom. This ionically bound magic cluster can be understood by considering that Al13 has an electronic structure reminiscent of a halogen atom. Comparisons to polyhalides provide a sound explanation for our chemical observations.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Bergeron, Denis E -- Castleman, A Welford Jr -- Morisato, Tsuguo -- Khanna, Shiv N -- New York, N.Y. -- Science. 2004 Apr 2;304(5667):84-7.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Departments of Chemistry and Physics, Pennsylvania State University, University Park, PA 16802, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15066775" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 7
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    Al cluster superatoms as halogens in polyhalides and as alkaline earths in iodide salts (2005)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2005-01-18
    Description: Two classes of gas-phase aluminum-iodine clusters have been identified whose stability and reactivity can be understood in terms of the spherical shell jellium model. Experimental reactivity studies show that the Al13I-x clusters exhibit pronounced stability for even numbers of I atoms. Theoretical investigations reveal that the enhanced stability is associated with complementary pairs of I atoms occupying the on-top sites on the opposing Al atoms of the Al13- core. We also report the existence of another series, Al14I-x, that exhibits stability for odd numbers of I atoms. This series can be described as consisting of an Al14I-3 core upon which the I atoms occupy on-top locations around the Al atoms. The potential synthetic utility of superatom chemistry built upon these motifs is addressed.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Bergeron, D E -- Roach, P J -- Castleman, A W Jr -- Jones, N O -- Khanna, S N -- New York, N.Y. -- Science. 2005 Jan 14;307(5707):231-5.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Department of Chemistry and Department of Physics, Pennsylvania State University, University Park, PA 16802, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/15653497" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 8
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    Dynamics of hydrogen bromide dissolution in the ground and excited states (2002)
    American Association for the Advancement of Science (AAAS)
    Details
    Publication Date: 2002-10-05
    Description: The dissolution of acids is one of the most fundamental solvation processes, and an important issue is the nature of the hydration complex resulting in ion pair formation. We used femtosecond pump-probe spectroscopy to show that five water molecules are necessary for complete dissolution of a hydrogen bromide molecule to form the contact ion pair H+.Br-(H2O)n in the electronic ground state. In smaller mixed clusters (n 〈 5), the ion pair formation can be photoinduced by electronic excitation.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Hurley, S M -- Dermota, T E -- Hydutsky, D P -- Castleman, A W Jr -- New York, N.Y. -- Science. 2002 Oct 4;298(5591):202-4.〈br /〉〈span class="detail_caption"〉Author address: 〈/span〉Departments of Chemistry and Physics, Pennsylvania State University, University Park, PA 16802, USA.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/12364802" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 9
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    Production of metallo-carbohedrenes in the solid state (1993)
    American Association for the Advancement of Science (AAAS)
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    Publication Date: 1993-04-09
    Description: Macroscopic quantities of the metallo-carbohedrenes TI(8)C(12) and V(8)C(12) have been synthesized with an arc discharge technique. Mass spectroscopy of raw soot samples generated in both an alternating and direct current arc between two metal-graphite powder composite electrodes establishes that the titanium and vanadium analogs of the metallo-carbohedrenes have been produced. An estimated yield of approximately 1 percent is obtained, and significantly, the products are stable in air.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Cartier, S F -- Chen, Z Y -- Walder, G J -- Sleppy, C R -- Castleman, A W Jr -- New York, N.Y. -- Science. 1993 Apr 9;260(5105):195-6.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/17807179" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
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  • 10
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    Gas-phase clusters: spanning the States of matter (1988)
    American Association for the Advancement of Science (AAAS)
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    Publication Date: 1988-07-01
    Description: Gas-phase clusters, which are weakly bound aggregates comprised of either atoms or molecules, often display properties that lie between those of the gaseous and condensed states. Interesting questions arise concerning how large a cluster must be before it will display bulk properties. Currently there is extensive research activity directed toward studies of their formation and varying properties and reactivity as a function of the degree of aggregation. Results serve to elucidate at the molecular level the course of change of a system to be followed from the gas to the condensed state, thereby enabling a spanning of the states of matter.〈br /〉〈span class="detail_caption"〉Notes: 〈/span〉Castleman, A W Jr -- Keesee, R G -- New York, N.Y. -- Science. 1988 Jul 1;241(4861):36-42.〈br /〉〈span class="detail_caption"〉Record origin:〈/span〉 〈a href="http://www.ncbi.nlm.nih.gov/pubmed/17815538" target="_blank"〉PubMed〈/a〉
    Print ISSN: 0036-8075
    Electronic ISSN: 1095-9203
    Topics: Biology , Chemistry and Pharmacology , Computer Science , Medicine , Natural Sciences in General , Physics
    Published by American Association for the Advancement of Science (AAAS)
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