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  • 1
    Electronic Resource
    Electronic Resource
    Beyond C60: the higher fullerenes (1992)
    s.l. : American Chemical Society
    Accounts of chemical research 25 (1992), S. 119-126 
    Details
    ISSN: 1520-4898
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ar00015a004
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  • 2
    Electronic Resource
    Electronic Resource
    Alkali halide nanocrystals (1993)
    s.l. : American Chemical Society
    Accounts of chemical research 26 (1993), S. 49-56 
    Details
    ISSN: 1520-4898
    Source: ACS Legacy Archives
    Topics: Chemistry and Pharmacology
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1021/ar00026a003
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  • 3
    Electronic Resource
    Electronic Resource
    The ultraviolet spectra of size-resolved (benzene)N, N=2–60 (1987)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 87 (1987), S. 6764-6765 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Photoabsorption spectra of benzene clusters BN containing up to N=60 molecules have been obtained on an N-resolved basis over the B2u region of the spectrum (λ=265–245 nm). The resonant enhanced two-photon ionization of a supercooled cluster beam yields distinctive spectra for each value of N. The energy of the 610 resonance is found to decrease monotonically with increasing N, but at N=50 is still far from condensed-phase values.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.453414
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  • 4
    Electronic Resource
    Electronic Resource
    The dynamic Jahn–Teller effect in sym-triazine: Nonadiabatic wave functions and hindered fluxionality (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 1270-1284 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The complex vibronic structure resolved in the two-photon absorption spectrum of the 3s 1E' Rydberg state of sym-triazine is quantitatively assigned in terms of a simple Jahn–Teller two-state electronic Hamiltonian coupled to second order by a single active mode, ν6. For Jahn–Teller linear and quadratic terms, k=2.14, and g=0.046 (in units of the zeroth-order frequency), eigenvalues of this Hamiltonian fit positions and splittings of more than 25 measured bands to within an average deviation of 0.5%. Eigenvectors show evidence of strong mixings of adiabatic states and of linear Jahn–Teller wave functions by quadratic (localization) effects, both of which are confirmed by quantitative agreement between measured and calculated band intensities. Adiabatic potential energy surfaces are calculated, and exact nonadiabatic quantum mechanical results are compared with various levels of approximation. This comparison shows that the simple model of an adiabatic free rotor/radial oscillator serves well to qualitatively describe the structure and dynamics of the lowest few states. Lower surface adiabatic Born–Oppenheimer (or Born–Huang) calculations also give a good approximate account of energy level structure for these deep states. Interestingly, compared with exact results, wave functions of the adiabatic approximations appear to underestimate potential-energy localization of nuclear density over surface depressions, and overestimate above barrier reflection. Cone resonances are identified for high energy states of triazine's linear coupling parameters but it is shown that higher order coupling tends to disrupt such localizations.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450519
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  • 5
    Electronic Resource
    Electronic Resource
    Observation of multimode vibronic interference effects in 2E1g benzene (1986)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 84 (1986), S. 654-656 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: This paper presents the first experimental demonstration of multimode vibronic interference effects arising from the interaction of topologically inequivalent vibrational modes with a two-level electronic degeneracy. The system is that of the E1g molecular ion core of benzene Rydberg states. The interacting modes are the Jahn–Teller active e2g, ring bend, ν6, and the Renner, out-of-plane e2u ring bend, ν16. The nature of the interaction is seen as a coupling of the angular momenta of the two modes individually to the electronic angular momentum, producing new quantization conditions, within which interference interactions can be approximated perturbatively. Such a treatment explains qualitatively all splitting patterns observed in experimental spectra. Small quantitative deviations point the way to higher order couplings.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.450559
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  • 6
    Electronic Resource
    Electronic Resource
    Surface scattering of C60+: Recoil velocities and yield of C60 (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 7480-7484 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: In the impact of a C60+ beam against solid surfaces, a substantial fraction of the beam is neutralized. By means of a pulsed photoionization experiment, we have detected the neutralized scatterers from a silicon (100) surface, and found that they are mainly intact C60, with little or no fragmentation at impact energies to 200 eV. The neutralization probability is found to increase monotonically with increasing impact energy. This reionization method has been used in a time-of-flight scheme to measure the recoil velocity distributions of scattered C60. Collisions at impact energies above 50 eV are found to be highly inelastic, and the normal recoil distribution changes very little with impact energy over the range from 50 to 200 eV. The peak in the velocity distribution is near 1150 m/s (∼5 eV), with a full width at half-maximum (FWHM) of 350 m/s. By comparison with molecular dynamics simulations, an interpretation of this speed is proposed in terms of a limit to reversible deformation of the fullerene cage. A model of the scattering kinematics, based on treating the fullerene cage as a deformable, hollow sphere, with a harmonic deformation limit (15 eV) as found by theory, predicts the observed speed quantitatively.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464687
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  • 7
    Electronic Resource
    Electronic Resource
    Ultraviolet absorption bands of ionic compound clusters: Onset of crystalline structures in [Csn+1In]+, n=1–13 (1993)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 98 (1993), S. 6170-6175 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Starting from the large photofragmentation cross sections recently reported for mass-selected alkali–halide cluster and nanocrystal beams [X. Li, R. D. Beck, and R. L. Whetten, Phys. Rev. Lett. 68, 3420 (1992)], we have obtained optical absorption spectra for ionic compound clusters in the ultraviolet charge-transfer bands. The smaller members of the CsI series, 3〈n〈14, show distinct absorption edges in the 4.6–5.8 eV region—just below the bulk exciton band near 5.9 eV—and the smallest cluster with an onset near the bulk is Cs14I13+, which is also a (3,3,3) nanocrystal. To help account for these features, we have computed minimum-energy structures for the entire series using a classical electrostatic potential, and have derived a simple model for the absorption energy, following deBoer. The locations of the spectral features are compared to the predicted energies, and good qualitative agreement is found.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.464831
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  • 8
    Electronic Resource
    Electronic Resource
    Isotopic substitution as a probe of cluster structure, aufbau and isomerism in (benzene)N, N=11–20 (1992)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 97 (1992), S. 1675-1682 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Isotopically substituted benzene clusters (dilute C6H6 in C6D6) in the N=11–20 range have been formed in a helium jet and interrogated through the C6H6 molecular B2u←A1g 000 and 601 transitions. The isotopic shift for perdeuterated vs hydrogenated benzene is sufficiently large that the former is spectroscopically transparent in the region of investigation. Line shapes for the singly substituted clusters are remarkably simple in appearance, being dominated by a few sharp lines at large spectral shift. This indicates that the predominant observed absorption for each size derives from the cluster's interior site. Analysis of the data strongly corroborates the icosahedral aufbau hypothesis and, in particular, a shell closing at N=13. Some aspects of the spectral simplification offer compelling new evidence for distinct stable isomers for several cluster sizes.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.463155
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  • 9
    Electronic Resource
    Electronic Resource
    Spectroscopic signatures of structural aufbau in (benzene)n; n=7–19 (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 95 (1991), S. 6362-6370 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: Optical spectra of larger (benzene)n clusters, n=7–19, have been investigated in detail using the molecular B2u←A1g000 and 610 transitions. The clusters are formed in a helium jet and are detected mass selectively by two-color resonant two-photon ionization spectroscopy at moderate resolution. The association of spectral line shifts with distinct molecular sites leads to a simple picture of the building up of clusters of nonpolar molecules, as proposed earlier [Easter et al. Chem. Phys. Lett. 157, 277 (1989)]. Coarse band shapes and fingerprintlike fine structure are discussed in terms of the numbers and multiplicities of sites predicted by the icosahedral aufbau sequence, and yield a particularly clear correspondence around B13, whose quasiicosahedral structure (as determined by minimum-energy simulations) forms the sequence's core. Distinctive multiplet structure observed in the center of the 610 band for n=12–15 is attributed to exciton interactions among equivalent sites.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.461557
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  • 10
    Electronic Resource
    Electronic Resource
    Spectroscopic evidence for high symmetry in (benzene)13 (1991)
    College Park, Md. : American Institute of Physics (AIP)
    The Journal of Chemical Physics 94 (1991), S. 3347-3354 
    Details
    ISSN: 1089-7690
    Source: AIP Digital Archive
    Topics: Physics , Chemistry and Pharmacology
    Notes: The (benzene)13 cluster and its isotopic derivatives have been formed in a dilute benzene/helium jet, and investigated by mass-selective R2PI spectroscopy in the region of the B2u ← A1g 000 and 610 transitions. Each band exhibits resolved fine structure, which differs greatly between forbidden (000) and allowed (610) bands. The main features, identified by spectral shift, are proposed to correspond to distinct molecular sites, whose symmetries are deduced by comparing spectra of the allowed and induced vibronic bands. The isotopic substitution of one C6H6 molecule into an otherwise deuterated cluster results in a considerable spectral simplification, due in part to highly nonrandom labelling. The results appear to rule out the crystallographic structure, while being consistent with the compact noncrystallographic structure computed by van de Waal.
    Type of Medium: Electronic Resource
    URL: http://dx.doi.org/10.1063/1.459757
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