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  • 1
    Electronic Resource
    Electronic Resource
    Surface-Enhanced Raman Spectroscopic (SERS and FT-SERS) Investigation of the Complex Ion [Fe2(CN)10L]6- (L = 4,4'-Bipyridine and Pyrazine) Adsorbed on Silver and Gold Electrodes (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 345-355 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100001a052
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  • 2
    Electronic Resource
    Electronic Resource
    Unimolecular decomposition of CF3OF-calculation by reduced Kassel integral in factorized form (1979)
    Springer
    Reaction kinetics and catalysis letters 11 (1979), S. 313-318 
    Details
    ISSN: 1588-2837
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Abstract С помощью Восстановленного Интеграла Кэйзеля в факторизованной форме было рассчитано уменьшение кривых для унимолекулярного разложения трифторометил гипофторита при 475,8,496,9 и 507,3 К.
    Notes: Abstract The fall-off curves were calculated for the unimolecular decomposition of the trifluoromethyl hypofluorite at 475.8, 496.9 and 507.3 K by means of the Reduced Kassel Integral in Factorized Form.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02079718
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  • 3
    Electronic Resource
    Electronic Resource
    Topological properties of the electronic density of CO-MgF2 and OC-MgF2 adducts (1987)
    Springer
    Theoretical chemistry accounts 72 (1987), S. 57-62 
    Details
    ISSN: 1432-2234
    Keywords: Quantum topology ; Ab-initio MO calculations ; Linkage CO isomers
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Notes: Abstract By means of Bader's approach on topological properties of the electronic density, the major stability of the O-bonded adduct over the C-bonded one between MgF2 and CO is reinforced.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF00526554
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  • 4
    Electronic Resource
    Electronic Resource
    Theoretical calculation of the unimolecular decomposition of the fluorine fluorosulfonate molecule (1978)
    Springer
    Reaction kinetics and catalysis letters 9 (1978), S. 53-58 
    Details
    ISSN: 1588-2837
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Abstract Теория PPKM применяется для мономолекулярного разложения фторсульфоната фтора. Теоретические результаты сравниваются с экспериментальными величинами для различных температур; наблюодается их хорошее согласие.
    Notes: Abstract The RRKM theory is applied to the unimolecular decomposition of fluorine fluorosulfonate. Theoretical results are compared with the available experimental values for different temperatures and a good agreement is found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1007/BF02070368
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  • 5
    Electronic Resource
    Electronic Resource
    A density functional study of small nickel clusters (1998)
    New York, NY : Wiley-Blackwell
    International Journal of Quantum Chemistry 70 (1998), S. 693-701 
    Details
    ISSN: 0020-7608
    Keywords: Chemistry ; Theoretical, Physical and Computational Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Small nickel clusters up to the tetramer are investigated within the framework of the local spin density functional theory. Several competitive states are studied for the dimer. Both the geometry and the spin state are optimized for several starting symmetries in the case of the trimer and the tetramer. Moreover, all those calculations are followed by a vibrational analysis in order to discriminate between real minima and saddle points on the potential energy surface. It is found that Jahn-Teller deformations play an important role in determining transition-metal cluster geometries. Equilibrium geometries, electronic configurations, binding energies, magnetic moments, and harmonic frequencies are reported in this work.   © 1998 John Wiley & Sons, Inc. Int J Quant Chem 70: 693-701, 1998
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
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    Paper (German National Licenses)
  • 6
    Electronic Resource
    Electronic Resource
    Raman- und Resonanz-Raman-Spektren der Tetraphenyl-arsonium- und Tetraphenylphosphonium-Permanganate (1982)
    Weinheim : Wiley-Blackwell
    Zeitschrift für anorganische Chemie 492 (1982), S. 197-200 
    Details
    ISSN: 0044-2313
    Keywords: Chemistry ; Inorganic Chemistry
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Description / Table of Contents: Raman and Resonance Raman Spectra of the Permanganates of Tetraphenylarsonium and TetraphenylphosphoniumThe measurement of Raman and resonance Raman spectra of the title compounds allow a wider insight into the vibrational properties of the MnO4- ion in these lattices. The anharmonicity constants and harmonic vibrational frequencies for the totally symmetric stretching vibration as well as the X13 anharmonicity constant could be determined from the resonance Raman spectra. The results are briefly discussed.
    Notes: Die Messung von Raman- und Resonanz-Raman-Spektren der Titelverbindungen ermöglichte weitere Einsicht in das schwingungsspektroskopische Verhalten des MnO4--Ions in diesen Gittern. Aus den Resonanz-Raman-Messungen konnten weiterhin die Anharmonizitätskonstanten und harmonische Schwingungsfrequenzen für die totalsymmetrische Valenzschwingung sowie die X13-Anharmonizitätskonstante ermittelt werden. Die Ergebnisse werden kurz besprochen.
    Additional Material: 2 Tab.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/zaac.19824920122
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  • 7
    Electronic Resource
    Electronic Resource
    Raman resonance excitation profile of the μ-oxobis[pentacyanomanganate (III)] ion (1987)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 18 (1987), S. 577-579 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The resonance Raman spectra of potassium μ-oxobis[pentacyanomanganate(III)] cyanide, K7[Mn2O(CN)10]CN, were measured using exciting lines at 356.4, 406.7, 530.9, 568.2, 603.5, 647.1 and 676.4 nm. By combining these data with those obtained previously (excitations at 457.9, 476.5, 488.0, 496.5, 514.5 and 608.6 nm), the excitation profiles were plotted for three totally symmetric vibrations at 1880 (CNax strech), 527 (MnCax stretch) and 259 cm-1 (MnOMn stretch). It was found that the equation derived by Mingardi et al. can adequately express these excitation profiles and that the previous assignment of the electronic transition at 509 nm needs revision.
    Additional Material: 1 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250180808
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  • 8
    Electronic Resource
    Electronic Resource
    Infrared and resonance Raman spectra of hydroxophthalocyaninatomanganese(III) (1989)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 20 (1989), S. 141-146 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The infrared and resonance Raman spectra of the solid complex hydroxophthalocyaninatomanganese(III) were obtained. The excitation profiles of some vibrational modes show resonance within the electronic bands in the visible region, and on this basis several vibrational and electronic absorption bands are assigned.
    Additional Material: 5 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250200304
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  • 9
    Electronic Resource
    Electronic Resource
    Surface-enhanced Raman scattering of 4-picolylamine and its [Fe(CN)5]n- complexes (1991)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 22 (1991), S. 301-305 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The SER spectra of the complexes [Fe(CN)5(4-picolylamine)]3- and [Fe2(CN)10(4-picolylamine)]6- adsorbed on a silver electrode were investigated. The analysis of the frequency shift of the CN stretching mode indicated that both molecules adsorb via one or more CN ligand groups. For potentials more positive than 0.0 V the CN stretching frequency for both complexes moves towards higher wavenumbers charcterizing the presence of Fe(III) over the surface. The SER spectra of 4-picolylamine adsorbed on a silver electrode in solutions of pH 2.8, 6.5 and 10.3 were also investigated. From the data obtained it was concluded that 4-picolylamine in solution at pH 6.5 and 10.3 adsorbs on the electrode through the nitrogen of the pyridine ring.
    Additional Material: 4 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250220512
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  • 10
    Electronic Resource
    Electronic Resource
    The resonance Raman spectrum of the 18O-enriched MnO4- ion (1982)
    Chichester [u.a.] : Wiley-Blackwell
    Journal of Raman Spectroscopy 13 (1982), S. 63-65 
    Details
    ISSN: 0377-0486
    Keywords: Chemistry ; Analytical Chemistry and Spectroscopy
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology , Physics
    Notes: The resonance Raman spectrum of the MnO4- ion enriched in 18O and dispersed in a RbBr matrix was obtained. The symmetric stretching fundamental band and its first three overtones were measured for the five possible isotopomers, allowing an estimation of the corresponding harmonic frequencies and anharmonicity constants. An explanation for the observed trend in these constants is proposed.
    Additional Material: 3 Ill.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1002/jrs.1250130112
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