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  • 1
    Electronic Resource
    Electronic Resource
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 5152-5164 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: A combined experimental and theoretical study of the structural properties of the H2–HCO+ ion-neutral complex has been undertaken. Infrared vibrational predissociation spectra of mass selected H2–HCO+ complexes in the 2500–4200 cm−1 range display several vibrational bands, the most intense arising from excitation of the C–H and H2 stretch vibrations. The latter exhibits resolved rotational structure, being composed of Σ–Σ and Π–Π subbands as expected for a parallel transition of complex with a T-shaped minimum energy geometry. The determined ground state molecular constants are in good agreement with ones obtained by ab initio calculations conducted at the QCISD(T)/6–311G(2df,2pd) level. The complex is composed of largely undistorted H2 and HCO+ subunits, has a T-shaped minimum energy geometry with an H2...HCO+ intermolecular bondlength of approximately 1.75 A(ring). Broadening of the higher J lines in the P and R branches of the Π–Π subband is proposed to be due to asymmetry type doubling, the magnitude of which is consistent with the calculated barrier to H2 internal rotation. The lower J lines in the Σ–Σ and Π–Π subbands have widths of 0.06 cm−1, around three times larger than the laser bandwidth, corresponding to a decay time of ≈90 ps for the upper level. The absence of discernible rotational structure in the ν2 band suggests that it has predissociation lifetime of less than 1 ps. © 1995 American Institute of Physics.
    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 100 (1994), S. 4766-4774 
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The 9–0 and 9–1 transitions of the A 1Πu–X 1Σ+g system of N2+2 have been observed by fast ion beam photofragment spectroscopy. Multireference configuration interaction ab initio calculations predict v'=8 to be the highest bound level which seemed to be supported by experimental evidence. The dominant predissociation mechanism for the v'=9 level appears to be through tunneling, unlike the v'=6, 7, and 8 levels, which show an e/f symmetry-dependent electronic predissociation. Calculated tunneling lifetimes from our own modified A 1Πu state potential gives good agreement with the experimental lifetimes. In addition to the 9–1 and 9–0 bands, we have also measured the previously unobserved 7–0 and 8–0 rovibronic transitions thus extending Cosby, Müller, and Helm's study to the blue [Phys. Rev. A 28, 766 (1983)]. Molecular constants have been determined for the v=0 of the X 1Σ+g state and v=7, 8, and 9 of the A 1Πu state.
    Type of Medium: Electronic Resource
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  • 3
    Electronic Resource
    Electronic Resource
    Springer
    Fresenius' Zeitschrift für analytische Chemie 32 (1893), S. 83-83 
    ISSN: 1618-2650
    Source: Springer Online Journal Archives 1860-2000
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
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