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  • 1
    Electronic Resource
    Electronic Resource
    Atomization energies and enthalpies of formation of the SnBin (n=1–3) gaseous molecules by Knudsen cell mass spectrometry (2002)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 116 (2002), S. 6957-6960 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The equilibria involving the gaseous species SnBi, SnBi2, and SnBi3 above the condensed system Bi–Sn contained in a graphite cell have been investigated by the Knudsen effusion technique combined with mass spectrometry. Third law enthalpies for the reactions SnBin(g)=Sn(cond)+nBi(g), n=1–3, were evaluated. By combining the experimental reaction enthalpies with the appropriate thermodynamic data taken from literature, the following atomization energies, ΔaH0o, and enthalpies of formation, ΔfH298.15o, in kJ mol−1, have been derived: SnBi, 191.1±12.0 and 317.5±12.0; SnBi2, 415.2±15.0 and 303.0±15.0; SnBi3, 603.4±18.0 and 323.0±18.0. © 2002 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1461813
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  • 2
    Electronic Resource
    Electronic Resource
    Knudsen cell mass spectrometric investigation of the B2N molecule (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 8995-8999 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: High-temperature Knudsen cell mass spectrometry has been used to study the equilibria involving the B2N molecule over the Si–BN system. Thermal functions needed in the evaluation of the mass spectrometric equilibrium data have been calculated from available experimental and theoretical molecular parameters. The enthalpy changes for the reactions 2B(g)+Si2N(g)=B2N(g)+2Si(g), and BN(s)+B(g)=B2N(g) have been measured. The following atomization enthalpy, ΔaH0o, and enthalpy of formation, ΔfH298.15o, in kJ mol−1, of 1045.5±18 and 551.3±18 for the B2N molecule have been determined from these reaction enthalpies. Atomization energies of similar molecules have been compared and discussed. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1319353
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  • 3
    Electronic Resource
    Electronic Resource
    Thermodynamic investigation of the AlNC and AlCN isomers by Knudsen cell mass spectrometry (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 969-972 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Equilibria involving the isomers AlNC and AlCN above a mixture of aluminum nitride, graphite, and gold contained in a graphite Knudsen cell were investigated with a mass spectrometer. The enthalpies of formation, ΔfH0o, and of atomization, ΔaH0o, in kJ mol−1, for AlNC and AlCN, were derived as 281.3±14 and 303.8±14, and as 1228.1±15 and 1205.6±15, respectively. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479379
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  • 4
    Electronic Resource
    Electronic Resource
    Thermodynamic investigation of the Si7 and Si8 clusters by Knudsen cell mass spectrometry (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 5470-5476 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Knudsen cell mass spectrometric method has been employed to measure the partial pressures of the Si7 and Si8 clusters under equilibrium conditions above liquid silicon, contained in a boron nitride liner inside a graphite Knudsen cell. Gaussian 2 (G2) theory and B3LYP density functional method were employed to determine the geometry, the vibrational frequencies, and the binding energy of the Si8 cluster. From the all-gas analyzed equilibria the following atomization enthalpies, ΔaH0o(Sin), and enthalpies of formation, ΔfH298.15o(Sin), in kJ mol−1, have been obtained: Si7, 2381±36 and 743±36; Si8, 2735±65 and 837±65. Experimental literature values for the electron affinities of Sin(n=3–8) have been combined with present and previous results to obtain the bonding energies for the Sin−(n=3–8) cluster anions. The experimental atomization energies are compared with available theoretical values. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1391265
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  • 5
    Electronic Resource
    Electronic Resource
    Thermodynamic stability of Sn4, Sn5, Sn6, and Sn7 clusters by Knudsen cell mass spectrometry (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 1852-1856 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Knudsen cell mass spectrometric method has been employed to measure the partial pressures of Snn (n=1–7) under equilibrium conditions above liquid tin or a tin–gold alloy, contained in a graphite Knudsen cell. From the all-gas analyzed equilibria the following atomization enthalpies ΔaH0&convolu;(Snn), and enthalpies of formation, ΔfH298.15&convolu;(Snn), in kJ mol−1, have been obtained: Sn4, 750.2±14 and 450.6±14; Sn5, 990.2±22 and 512.3±22; Sn6, 1349.7±28 and 452.8±28; Sn7, 1644.2±37 and 460.0±37. The atomization energies are compared with available theoretical values. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481988
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  • 6
    Electronic Resource
    Electronic Resource
    Atomization enthalpies and enthalpies of formation of the germanium clusters, Ge5, Ge6, Ge7, and Ge8 by Knudsen effusion mass spectrometry (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 112 (2000), S. 7443-7448 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The high-temperature mass spectrometric method was employed to measure the equilibrium partial pressures of small germanium clusters above liquid germanium contained in a graphite Knudsen cell. These data were combined with new thermal functions, calculated from recent theoretical and spectroscopic molecular parameters, to evaluate the atomization enthalpies and enthalpies of formation of Ge5–Ge8. Mass spectrometric equilibrium data available in literature were also reevaluated. The following atomization enthalpies, ΔaH0o(Gen,g) and enthalpies of formation ΔfH298.15o(Gen,g), in kJ mol−1, have been obtained: Ge5, 1313±27 and 548±27, Ge6, 1649±33 and 583±33, Ge7, 2008±42 and 598±42, Ge8, 2359±60 and 618±60. The atomization energies are compared with available theoretical values. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.481343
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  • 7
    Electronic Resource
    Electronic Resource
    Structure and thermodynamic stability of the OsC and OsC2 molecules by theoretical calculations and by Knudsen cell mass spectrometry (2001)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 115 (2001), S. 4496-4501 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Knudsen cell mass spectrometric equilibrium measurements together with theoretical computations have been employed to gain structural and thermodynamic information of the OsC and OsC2 molecules. Several levels of theory have been applied to determine the structures, molecular parameters, and physico-chemical properties of OsC(g) and OsC2(g), and their singly charged ions. Complete active space self-consistent field (CASSCF) calculations were performed on the apparent 3Σ− ground state and first 3Δ excited state of OsC. From the analyzed gaseous equilibria and the thermal functions calculated from the computed molecular parameters, the following atomization enthalpies, ΔaH0o(OsC,g) and ΔaH0o(OsC2,g), and enthalpies of formation, ΔfH298.15o(OsC,g) and ΔfH298.15o(OsC2,g), in kJ mol−1, have been obtained: OsC, 605.6±14.0 and 895.4±14.0; OsC2, 1154.6±18.0 and 1059.5±18.0. The results have been compared with those for the other platinum metal carbides and oxides. © 2001 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1390504
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  • 8
    Electronic Resource
    Electronic Resource
    Thermodynamic study of the gaseous molecules Al2N, AlN, and Al2N2 by Knudsen cell mass spectrometry (2000)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 113 (2000), S. 10978-10982 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The Knudsen effusion mass spectrometric method has been employed to measure the equilibrium partial pressures of the Al2N molecule over the AlN–Au–graphite system. Theoretical computations were carried out to determine the structure, molecular parameters, and thermodynamic properties of Al2N. The partial pressures have been combined with the calculated thermal functions to determine the atomization enthalpy, ΔaH0o, and enthalpy of formation, ΔfH298.15o, in kJ mol−1, of 783.2±15 and 342.7±15 for Al2N, respectively. Upper values for the dissociation energy of AlN, D0o(AlN,g)≤368±15 kJ mol−1, and for the atomization enthalpy of Al2N2, ΔaH0o(Al2N2,g)≤1402 kJ mol−1 have been obtained. These results are discussed and compared with recent theoretical literature values. © 2000 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.1326848
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  • 9
    Electronic Resource
    Electronic Resource
    Experimental and theoretical investigations of the structure and the stability of the BNSi molecule (1999)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 111 (1999), S. 9325-9329 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Theoretical computations were carried out to determine the structure and molecular parameters of the BNSi molecule. The most stable isomer is found to have a BNSi linear geometry. Thermal functions as derived from the theoretical computed molecular parameters were used in the evaluation of the thermodynamic properties of BNSi from high-temperature Knudsen effusion mass spectrometric equilibrium data. From the reactions analyzed by the second-law and third-law methods, the enthalpy of formation, ΔfH0o, and of atomization, ΔaH0o, in kJ mol−1, for BNSi, were obtained as 398±16 and 1078±17, respectively. © 1999 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.479844
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  • 10
    Electronic Resource
    Electronic Resource
    Dissociation energies of the Ga2, In2, and GaIn molecules (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 4384-4388 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The group III metal dimers Ga2 and In2 and the newly identified intermetallic molecule GaIn were investigated in a Knudsen cell-mass spectrometric study of the vapors over gallium–indium alloys. From the all-gas equilibria analyzed by the second-law and third-law methods the following dissociation energies were derived; D00 (Ga2)=110.8±4.9 kJ mol−1, D00 (In2)=74.4±5.7 kJ mol−1, D00 (GaIn)=90.7±3.7 kJ mol−1. The value here measured for the dissociation energy of In2 is discussed and compared with a previous experimental determination and with the results of more recent theoretical investigations. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.477041
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