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  • 1
    Electronic Resource
    Electronic Resource
    The infrared spectrum of the H2–HCO+ complex (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 5152-5164 
    Details
    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
    URL: http://dx.doi.org/10.1063/1.469240
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  • 2
    Electronic Resource
    Electronic Resource
    A 3.PI.u .rarw. X 3.SIGMA.g- Electronic Spectrum of N3+ (1994)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 98 (1994), S. 8896-8902 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100087a013
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  • 3
    Electronic Resource
    Electronic Resource
    Size Effects in Cluster Infrared Spectra: the .nu.1 Band of Arn-HCO+ (n = 1-13) (1995)
    s.l. : American Chemical Society
    The @journal of physical chemistry 〈Washington, DC〉 99 (1995), S. 17118-17129 
    Details
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology , Physics
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/j100047a013
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  • 4
    Electronic Resource
    Electronic Resource
    Mid-infrared spectra of He–HN+2 and He2–HN+2 (1996)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 104 (1996), S. 3876-3885 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Mid-infrared vibrational spectra of He–HN+2 and He2–HN+2 have been recorded by monitoring their photofragmentation in a tandem mass spectrometer. For He–HN+2 three rotationally resolved bands are seen: the fundamental ν1 transition (N–H stretch) at 3158.419±0.009 cm−1, the ν1+νb combination band (N–H stretch plus intermolecular bend) at 3254.671±0.050 cm−1, and the ν1+νs combination band (N–H stretch plus intermolecular stretch) at 3321.466±0.050 cm−1. The spectroscopic data facilitate the development of approximate one-dimensional radial intermolecular potentials relevant to the collinear bonding of He to HN+2 in its (000) and (100) vibrational states. These consist of a short range potential derived from an RKR inversion of the spectroscopic data, together with a long range polarization potential generated by considering the interaction between the He atom and a set of multipoles distributed on the HN+2 nuclei. The following estimates for binding energies are obtained: D0″=378 cm−1 [He+HN+2(000)], and D0′=431 cm−1 [He+HN+2(100)]. While the ν1 band of He2–HN+2 is not rotationally resolved, the fact that it is barely shifted from the corresponding band of He–HN+2 suggests that the trimer possesses a structure in which one of the He atoms occupies a linear proton-bound position forming a He–HN+2 core, to which a second less strongly bound He is attached. © 1996 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.471244
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  • 5
    Electronic Resource
    Electronic Resource
    The infrared spectrum of He–HCO+ (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 103 (1995), S. 1297-1302 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The vibrational predissociation spectrum of the He–HCO+ proton bound complex has been recorded in the 3 μm (C–H stretch) region by monitoring the HCO+ photofragment current. A rotationally resolved, parallel band is observed, red shifted 12.4 cm−1 from the ν1 transition of free HCO+. Analysis in terms of a diatomiclike Hamiltonian yields B″=0.2900±0.0002 cm−1, D″=(1.00±0.06)×10−5 cm−1, B′=0.2898±0.0010 cm−1, and ν1=3076.313±0.010 cm−1. Localized perturbations to ν1 rotational levels are observed and are tentatively ascribed to interactions with combination vibrational states made up of quanta of the CO stretch and HCO+ bend, and those of the low frequency intermolecular stretches and bends. Rotational linewidths are laser bandwidth limited suggesting a lower limit of approximately 250 ps for the lifetime of the ν1 level. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469806
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  • 6
    Electronic Resource
    Electronic Resource
    The infrared spectrum of the N2H+–He ion-neutral complex (1995)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 102 (1995), S. 5570-5571 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Rotationally resolved, vibrational predissociation spectra of the HN+2–He complex have been recorded in the region of the N–H stretch (3100–3200 cm−1). The complex appears to be linear. Fitting of the measured lines to the pseudodiatomic expression ν=ν0+(B'ν+B‘ν)m +(B'ν−B‘ν–D'ν+D'ν) m2−2(D'ν+D‘ν)m3 −(D'ν−D‘ν)m4 yields the following constants: ν0=3158.419±0.009 cm−1, B‘=0.3517±0.0005 cm−1, D‘=(5.8±0.5)×106 cm−1, B'=0.3579 ±0.0005 cm−1, D'=(3.9±0.6)×106 cm−1. The data support a proton bound He–HNN+ structure, with a 1.72 A(ring) vibrationally averaged intermolecular bondlength, and an approximate intermolecular stretching frequency of 150 cm−1. © 1995 American Institute of Physics.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.469286
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