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  • International Union of Crystallography (IUCr)  (5)
  • American Institute of Physics (AIP)  (3)
  • 1
    Electronic Resource
    Electronic Resource
    Branching ratios for infrared vibrational emission from NO(X 2Π,v'=2–13) (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 96 (1992), S. 7555-7563 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The ratios of overtone and fundamental vibrational Einstein coefficients for NO(X 2Π) have been measured by spectrally resolved infrared chemiluminescence near 2.7–3.3 μm and 5.2–6.8 μm. The reactions of N(2D,2P) with O2, in the presence of a small background of He in a cryogenic low-pressure reactor, generated vibrationally excited, rotationally cold (60 K) NO(v), whose emission spectra were recorded with high spectral resolution. Least-squares spectral fitting analysis of the observed overtone and fundamental spectra gave vibrational band intensities, whose ratios at each emitting vibrational level v' yielded the (Δv=2)/(Δv=1) Einstein coefficient ratios for v'=2–13. The results provide comparisons to previous theoretical and experimental data, and reflect the behavior of the dipole moment function for NO(X 2Π). The measured ratios indicate an overtone Einstein coefficient A2,0=0.94±0.11 s−1 for an assumed fundamental value A1,0=13.4 s−1.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.462407
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  • 2
    Electronic Resource
    Electronic Resource
    Electron-energy-loss spectroscopy of the low-lying triplet states of styrene (1994)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 100 (1994), S. 70-77 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Low-energy electron-energy-loss spectra of styrene deposited on a thin film of solid argon are measured at a temperature of 15 K. The spectra show vibrationally resolved bands in the region of the lowest valence transitions thus allowing to locate the 0–0 transition to the lowest triplet state at 2.69 eV. The second triplet state of styrene is detected for the first time with a 0–0 transition at 3.98 eV. Semiempirical calculations are performed to characterize the bands observed in the spectrum considering the nomenclature of Platt. They suggest that the lowest triplet state has the same spacial wave function as the second singlet state and is closely related to 3La benzene. The second triplet state which has most likely Ba character cannot directly be related to a specific singlet state because the Ba and Bb states are found to mix strongly in the singlet manifold whereas among the triplets they do not.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.466936
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  • 3
    Electronic Resource
    Electronic Resource
    The dipole moment and infrared transition strengths of nitric oxide (1998)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 109 (1998), S. 3409-3417 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The electric dipole moment function for NO(X 2Π) is determined by nonlinear least-squares analysis of experimental data, including previously reported (Δv=2)/(Δv=1) transition branching ratios for v′≤13. Polynomial fits to the dipole moment function are determined over the range of internuclear separation from 0.97 to 1.50 Å. The fitted dipole moment functions agree well with previous ab initio predictions, but differ somewhat at the larger internuclear separations. The observed dipole moment functions are used to compute rotationless Einstein coefficients for Δv=1–4 vibrational transitions with v′≤20. The absolute Δv=1 and Δv=2 Einstein coefficients are well determined by this analysis, especially for v′≤12. The results provide a firm basis for determinations of vibration-rotation emission intensities of NO(X 2Π) in high-temperature or nonequilibrium chemiexcitation systems. © 1998 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.476936
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  • 4
    Electronic Resource
    Electronic Resource
    Structure of trirubidium hydrogenbis(sulfate), Rb3H(SO4)2 (1985)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 41 (1985), S. 1139-1141 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270185006898
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  • 5
    Electronic Resource
    Electronic Resource
    Structure of 1,1,2,2,3,3-hexacarbonyl-1,2;2,3;3,1-tris(μ-diphenylphosphido)-triangulo-tricobalt(I)(3Co–Co) acetonitrile solvate, [Co3{P(C6H5)2}3(CO)6].C2H3N (1985)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 41 (1985), S. 336-338 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270185003833
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  • 6
    Electronic Resource
    Electronic Resource
    Structure of diethyl 1,4-dihydro-2,4,6-trimethyl-3,5-pyridinedicarboxylate, C14H21NO4 (1985)
    Oxford [u.a.] : International Union of Crystallography (IUCr)
    Acta crystallographica 41 (1985), S. 411-413 
    Details
    ISSN: 1600-5759
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108270185004097
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  • 7
    Electronic Resource
    Electronic Resource
    A direct-methods solution to the phase problem in the single isomorphous replacement case: theoretical basis and initial applications (1985)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 41 (1985), S. 571-577 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The probabilistic theory of the three-phase structure invariants for a pair of isomorphous structures [Hauptman (1982). Acta Cryst. A38, 289-294] is reexamined. The analysis leads to distributions capable of estimating cosine invariants in the full range of -1 to +1. In particular, it is shown that heavy-atom substructure information can be incorporated easily into the distributions. The initial applications, using calculated diffraction data from the protein cytochrome c550, MR ∼ 14 500, and its PtCl2-4 derivative show that a remarkable increase in accuracy results from the use of the revised distributions, particularly after the incorporation of heavy-atom substructure information. Finally, it is shown that in the individual phase determinations the redundant cosine invariants play a role identical to that of the multiple isomorphous derivatives and thus provide the basis for the solution of the phase problem in the single isomorphous replacement case.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767385001246
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  • 8
    Electronic Resource
    Electronic Resource
    On the number of ambiguities in direct methods – anomalous scattering estimates of the two- and three-phase structure invariants (1986)
    [S.l.] : International Union of Crystallography (IUCr)
    Acta crystallographica 42 (1986), S. 149-156 
    Details
    ISSN: 1600-5724
    Source: Crystallography Journals Online : IUCR Backfile Archive 1948-2001
    Topics: Chemistry and Pharmacology , Geosciences , Physics
    Notes: The theoretical basis for the integration of direct methods into the single-wavelength anomalous dispersion technique is reexamined. The analysis shows that the approximations responsible for the ability to obtain unique estimates of the two- and three-phase structure invariants [Hauptman (1982). Acta Cryst. A38, 632-641; Giacovazzo (1983). Acta Cryst. A39, 585-592] or twofold estimates of the three-phase structure invariants [Kroon, Spek & Krabbendam (1977). Acta Cryst. A33, 382-385] are also responsible for the substantial errors observed in the applications. It is shown that, in the general case, the method of joint probability distributions leads to twofold estimates of the two-phase invariants and eightfold estimates of the three-phase invariants. Finally, it is shown that more accurately determined three-phase invariant estimates can be obtained by the use of anomalous scatterer substructure information, when available, and the use of a strategy that recognizes cases in which the eight estimates are clustered around one or two values. These cases are then distinguished from those where the eight estimates are widely scattered by a weighting function.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1107/S0108767386099610
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