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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 92 (1990), S. 6408-6419 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The rotational spectra of H2S⋅CO2 and two deuterated forms have been observed using a pulsed-beam Fourier-transform microwave spectrometer. For each of the three complexes we assign a-type and c-type transitions which are split into a "weak'' and a "strong'' intensity component. The analysis based on that previously used for the (H2O)2 complex and modified for application to H2S⋅CO2, allowed us to assign internal rotation, inversion tunneling states of the H2S and CO2 units in the complex. The following rotational constants were determined for the ground tunneling state of each species: for H2S⋅CO2, A=11 048.0(26) MHz, B=2147.786(4) MHz, and C=1806.468(4) MHz; for HDS⋅CO2, A=10 769(35) MHz, B=2107.26(24) MHz, and C=1775.83(24) MHz; and for D2S⋅CO2, A=10 356.2(28) MHz, B=2065.376(8) MHz, and C=1746.122(8) MHz. The electric dipole moments were determined for the H2S⋅CO2 and D2S⋅CO2 species, resulting in the values μa=0.410(14) D and μc=0.822(10) D for the H2S⋅CO2 species. The structure of the complex has the CO2 and the S atom of H2S in a T-shaped configuration. The H2S plane is nearly orthogonal to the CO2–S plane with an angle of about 92° and the H2S⋅CO2 center-of-mass separation Rc.m. is 3.498(3) A(ring).
    Type of Medium: Electronic Resource
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  • 2
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 85 (1986), S. 4261-4268 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The structure of the weakly bound complex HCl BF3 has been determined by molecular beam electric resonance spectroscopy. The molecule is a near prolate symmetric top with the chlorine atom 3.17 A(ring) above the boron atom, on or very near the BF3 threefold axis. The B–Cl–H angle is close to 90°. The spectroscopic constants for the H35Cl11BF3 isotope are (B+C)/2=1774.117(4) MHz, DJ=5.6(5) kHz, eqQa(35Cl)=+25.761(8) MHz, eqQa(11B)=+2.672(25) MHz, and μa=0.484(5)D.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 90 (1989), S. 6940-6948 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: We report new spectroscopic information on the A 1Π–X 1Σ+ transition of BH including the observation of the 0–1 and 1–2 bands using laser induced fluorescence (LIF) techniques. Ratios of Einstein coefficients, band oscillator strengths and transition probabilities have been obtained for the 0–1 compared to the 0–0 band and the 1–0 and 1–2 compared to the 1–1 band. These ratios indicate that the emission observed occurs predominantly within the diagonal elements. Additionally, the radiative lifetimes of the v'=0, 1, and 2 levels have been measured to be 127±10, 146±12, and 172±14 ns, respectively. Using the ratios above and the experimental lifetimes, we have obtained Einstein emission coefficients and band absorption oscillator strengths. These values are compared to several calculations from the literature and in some instances large differences are seen.
    Type of Medium: Electronic Resource
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  • 4
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 1006-1019 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The hot H-atom reaction, H+CO2→OH+CO is investigated under several initial conditions designed to vary the angular momentum of the CO2 reactant. The translationally hot H atoms are produced by photodissociating H2S at 193 nm, resulting in a reaction exoergicity of ∼120 kJ mol−1. The internal energy in the CO product is monitored by laser-induced fluorescence in the VUV spectral range. Under near-nascent conditions we report the rotational distributions of CO in v‘=0 under CO2 reactant "temperatures'' of 300, 70 and 40 K. Also reported are the rotational distributions of CO in v‘=1 at 300 K and 70 K and the population ratios of [v‘=1]/[v‘=0] at both initial CO2 temperatures. Three distinctively "dynamical'' aspects of the potential energy (PE) surface are exhibited in this set of experiments: (i) As the CO2 reactant is cooled, a cooling of the CO distribution is seen which suggests the reaction intermediate does not live long enough to randomize its internal energy. (ii) We report a coupling of vibrational and rotational excitation in the CO product indicated by a "hotter'' rotational energy in v‘=1 than v‘=0 at 300 K. (iii) In addition, we report different [v‘=1]/[v‘=0] ratios at the two CO2 initial temperatures. Contrary to nearly all indications from measurements on the OH product, the CO product is rich in "nonstatistical'' behavior.
    Type of Medium: Electronic Resource
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  • 5
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 90 (1986), S. 6793-6800 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 6
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 97 (1993), S. 12805-12810 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 7
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 96 (1992), S. 3359-3366 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 8
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 93 (1989), S. 7659-7664 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 9
    Electronic Resource
    Electronic Resource
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 95 (1991), S. 8701-8706 
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
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  • 10
    ISSN: 0020-7608
    Keywords: Computational Chemistry and Molecular Modeling ; Atomic, Molecular and Optical Physics
    Source: Wiley InterScience Backfile Collection 1832-2000
    Topics: Chemistry and Pharmacology
    Notes: Experimental observations of the photoinduced excited-state lifetime of cis-stilbene have shown a distinct dependence on solvation processes. The rate of decay, dominated by a cis-trans isomerization, is more rapid in polar solvents than in nonpolar solvents. Linear solvation energy relationship (LSER) techniques show that this can be explained in terms of polarity and polarizability parameters for the solvent. Theoretical linear solvation energy relationship (TLSER) analysis shows that this can be explained in terms of solvent polarizability and electrostatic basicity. New TLSER descriptors based on calculated solvent bond diplole parameters are also successful in describing this solvent dependence. Solvent-dependent dipole moments are calculated for an approximate stilbene transition-state geometry using the polarizable continuum model (PCM), which suggests the usefulness of a more detailed study of this photoisomerization process using current solvation theory and computational techniques. © 1996 John Wiley & Sons, Inc.
    Additional Material: 2 Ill.
    Type of Medium: Electronic Resource
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