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1.
P. Rudolf R. Raval P. Dumas G.P. Williams 《Applied Physics A: Materials Science & Processing》2002,75(1):147-153
Infrared (IR) spectroscopy of chemisorbed C60 on Ag (111), Au (110) and Cu (100) reveals that a non-IR-active mode becomes active upon adsorption, and that its frequency
shifts proportionally with the charge transferred from the metal to the molecule by about 5 cm-1 per electron. The temperature dependence of the frequency and the width of this IR feature have also been followed for C60/Cu (100) and were found to agree well with a weak anharmonic coupling (dephasing) to a low-frequency mode, which we suggest
to be the frustrated translational mode of the adsorbed molecules.
Additionally, the adsorption is accompanied by a broadband reflectance change, which is interpreted as due to the scattering
of conduction electrons of the metal surface by the adsorbate. The reflectance change allows determination of the friction
coefficient of the C60 molecules, which results in rather small values (∼2×109 s-1 for Ag and Au, and ∼1.6×109 s-1for Cu), consistent with a marked metallic character of the adsorbed molecules.
Pre-dosing of alkali atoms onto the metal substrates drastically changes the IR spectra recorded during subsequent C60 deposition: anti-absorption bands, as well as an increase of the broadband reflectance, occur and are interpreted as due
to strong electron–phonon coupling with induced surface states.
Received: 6 June 2001 / Accepted: 23 October 2001 / Published online: 3 April 2002 相似文献
2.
A rigorous mathematical proof of Howard's conjecture which states that the growth rate of an arbitrary unstable wave must
approach zero, as the wave length decreases to zero, in the linear instability of nonviscous homogeneous parallel shear flows,
is presented here for the first time under the restriction of the boundedness of the second derivative of the basic velocity
field with respect to the vertical coordinate in the concerned flow domain. 相似文献
3.
It is shown that time-dependent temperatures in a transient, conductive system can be approximately modeled by a fractional-order
differential equation, the order of which depends on the Biot number. This approximation is particularly suitable for complex
shapes for which a first-principles approach is too difficult or computationally time-consuming. Analytical solutions of these
equations can be written in terms of the Mittag-Leffler function. The approximation is especially useful if a suitable fractional-order
controller is to be designed for the system. 相似文献
4.
5.
Humblot V Lorenzo MO Baddeley CJ Haq S Raval R 《Journal of the American Chemical Society》2004,126(20):6460-6469
A detailed comparison of tartaric acid (HOOC-CHOH-CHOH-COOH) and succinic acid (HOOC-CH(2)-CH(2)-COOH) molecules on a Cu(110) surface is presented with a view to elucidate how the two-dimensional chirality exhibited by such robust, chemisorbed systems is affected when both OH groups of the former molecule are replaced with H groups, a stereochemical change that leaves the metal-bonding functionalities of the molecule untouched but destroys both chiral centers. It is found that this change does not significantly affect the thermodynamically preferred chemical forms that are adopted, namely the doubly deprotonated bicarboxylate at low coverages (theta = (1)/(6) ML) and the singly deprotonated monocarboxylate at higher coverage. However, the kinetics of phase formation are significantly affected so that the conditions required for self-assembling pertinent two-dimensional chiral phases alter substantially. For both molecules, two-dimensional assembly is found to depend strongly on the nature of the local adsorption motif created, with each motif essentially acting as a "synthon" for the supramolecular assembly. In this respect, it seems that molecule-metal bonding interactions define the general self-assembly structure. The presence/absence of the OH groups, instead, cause a subtler, second-order effect on the finer details of the self-assembled structure. Finally, the creation of chirality in the achiral succinate system is shown to arise from adsorption-induced asymmetrization, inducing point chirality via molecular distortion and/or metal reconstruction of the local adsorption unit. This chiral adsorption unit is then responsible for creating chiral supramolecular through-space and through-metal interactions that propagate a chiral organization. However, the achirality of the succinate ensures that nucleation points of either chirality are equally created, producing a racemic conglomerate of coexisting mirror domains. It is in this aspect that the uniquely aligned OH groups of the rigid bitartrate system wield the greatest effect, by favoring one distortion/reconstruction for the (R,R)-bitartrate and its mirror image distortion/reconstruction for the (S,S)-enantiomer, creating surfaces that are globally chiral on the macroscopic scale. So overall, the OH groups do not dictate the general nature of the assembly but are critical as chiral propagators, breaking the degeneracy and thus promoting asymmetry to chirality. 相似文献
6.
The exchange part of the usual Hartree-Fock potential in the unrestricted Hartree-Fock (UHF) theory is suitablyaveraged to construct an, average one-electron model Hamiltonian which generates a set of spin-restricted one-electron orbitals in
a self-consistent manner. These orbitals are then used to calculate the electronic energy of the open-shell system by using
the proper functional form for the energy which handles the exchange terms correctly. The eigenvalues ofF
av can be used for calculating either the spin-polarised or spin-averaged ionisation potentials of different orbitals at theKoopmans’ theorem level of approximation. Comparison ofE
ac with the UHF-energy shows thatE
UHF<E
ac in each case revealing some kind of an upper bound nature ofE
ac. An approximate variational argument is given. Relationship of our model with the hyper-Hartree-Fock theory of slater is
explored and the general problem of eliminating ‘self-interaction’ terms in average Fock-operator based theories is discussed. 相似文献
7.
8.
Radiationless transitions in lanthanide ions embedded in glassy and crystalline hosts have been briefly reviewed. The correlations
of multiphonon relaxation rates with energy gaps, vibrational frequencies, temperatures and electronic symmetries have been
discussed. The essence of various theories, such as Nth order methods, non-adiabatic Hamiltonian method, dynamic coupling
model has also been presented. 相似文献
9.
Gopa KarAnil K. Saikia Upasana BoraSanjoy K. Dehury Mihir K. Chaudhuri 《Tetrahedron letters》2003,44(24):4503-4505
The bright yellow crystalline cetyltrimethylammonium tribromide (CTMATB) reagent has been synthesized from the reaction of CTMAB and KBr with H2MoO4·H2O, H2O2 and H2SO4 in the molar ratio 1:2:0.01:4:0.93. CTMATB selectively oxidizes a variety of dialkyl and alkyl aryl sulfides to the corresponding sulfoxides in high yields under mild conditions. 相似文献
10.
Co(acac)2·2H2O efficiently catalyzes SnCl2-mediated Barbier coupling in water between carbonyls, including aromatic, aliphatic and α,β-unsaturated aldehydes, ketones, sugars and allyl bromide to afford the corresponding homoallylic alcohols in high yields. The catalyst was reused for several cycles with consistent activity. 相似文献