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The trend that group 13 metals prefer pentagonal -bipyramidal skeleton, rather than an icosahedron is explained by orientation of the [pi]-orbitals of the ring in both cases. The overlap between ring [pi]-orbitals and cap orbitals is improved by the out-of-plane bending of ring hydrogens and five-membered ring of pentagonal bipyramid makes better overlap with the diffuse orbital of metals effectively than that of isoashedron.

The effect of ethylene on hydrogen presaturated Fe(100) shows that rehybridization intermediate occurs between a gas phase species, sp(super 2) and a di-sigma bonded species adsorbed on the clean Fe(100) surface. The process occurs due the preadsorption of hydrogen on Fe(100), limiting the electron back-donation to ethylene. The insertion of coadsorbed hydrogen into adsorbed ethylene forms ethyl groups on Fe(100)-H.

Thiol anchors helps to control the orientation of the cyclodextrin cavities in the mono- and multi-thiolated cyclodextrin films adsorbed on gold surfaces. The length of the spacer between the cavity and thiol group and the number of thiol anchors influence the orientation. The chemical structure of the cyclodextrins has a strong influence on the film's molecular architecture. A study synthesizes and characterizes cyclodextrins containing different spacers.

Protolytic deposition is obtained in the reaction between tetra-tert-butoxyzirconium vapor and hydroxylated Al(110)-OH in UHV, creating di-tert-butoxyzirconium species, because of the vapor's kinetic properties. The deposition mechanism of tetraneopentylzirconium and tetra-tert-butoxyzirconium onto surface oxided aluminum involves proton transfer from the surface hydroxyl group to the metal complex. Tetra-tert-butoxyzirconium's less thermodynamic status as compared to tetraalkyl was an advantage because more kinetically favorable sites were available for the proton transfer.

Thermal programmed desorption and reflection-absorption infrared spectroscopies employed to analyze the adsorption vinyl iodide on Pt(III) surface reveal the C-I bond dissociation in the formation of vinyl surface moieties. Vinylidene and acetylene are produced by the competitive dehydrogenation of vinyl moiety. Temperature influences the stability of vinylidene and acetylene and ethylene is produced at temperatures above 200 K.

Argon ion bombardment facilitated the synthesis of stilbene from benzaldehyde by reductive coupling on TiO2(001) surfaces. The reaction involved carbon-carbon bond formation on UHV oxide surfaces. Surface analytical techniques are used to probe organic synthesis sites at the fluid-solid interface.

Infrared and Raman spectra assignments of the Os2(mu2-CHCH3) group of ((mu2-CHCH3)Os2(CO)8) and its d4 and d1 isotopologues were incorporated in models associated with the spectra of ethylidene groups on metal surfaces. Analyses of the infrared and Raman spectra for the d4, d1 and d0 molecules were used to characterize the vibrational spectrum of the ethylidene group that was bound to metal atoms.

Analysis of the reactivity of sulfur-containing molecules on noble metal surfaces revealed Au(110) surface-catalyzed activation of adsorbed benzenethiol toward S-H bond cleavage. S-H bond cleavage, which formed phenyl thiolate, competed with molecular benzenethiol desorption during temperature programmed reaction spectroscopy. Au(110) sulfidation increased diphenyl sulfide production while decreasing biphenyl yields.

Surface-bound alkyls go through beta-hydride removal above roughly 200 Kelvin. The thermal chemistry of these alkyl iodides at increased surface coverage is explored with temperature-programmed reaction/desorption to reveal the surface reaction products and reaction kinetics. There is a formation of alkyl coupling and disproportionation products at the temperature where the C-I bond delinks. The relative yields of these products indicate a radical mechanism. The parallel reaction channels for forming alkyl radicals and absorbed alkyls during C-I bond dissociation on the Cu (111) surface are examined in the context of analogous reactions of alkyl halides with metal surfaces in solution.

The voltammetric and spectroelectrochemical behavior of high-nuclearity platinum carbonyl complexes (Pt24(CO)30)n, (Pt326(CO)32)n and (Pt38(CO)44)n (n = 0 to -10) were studied. The charge-dependent infrared spectral properties were examined in dichloromethane, acetonitrile, acetone, tetrahydrofuran and methanol. The cluster size and nature showed significant effects on the spectroelectrochemical properties.

The study conducted presents evidence and explains the presences of clear relationships between activation energies and enthalpy changes of dissociation reactions in heterogeneous catalysis. The density functional theory is used to determine the transition and final state geometries and energies of transition metal surfaces

Research reporting the formation of a supramolecule, featuring sandwiched mu6-eta2:eta2:eta2:eta2:eta2:eta2-benzene in a double face-capping mode is presented.

Research was conducted to examine the first example of the preparation and direct STM observation of two-dimensional chirality induced by an atropisomeric compound anchored covalently on a gold surface. Self-assembling and covalent binding on metal surfaces of compounds having thiol group(s) to fabricate a monolayer film of chiral organic compounds. Results demonstrate the preparation of a two-dimensional chiral structure via self-assembling and covalent binding of atropisomeric molecules onto gold.

A new, solution-based combinatorial method for synthesis of surfaces exhibiting nanometer-scale variation in mixed-metal composition and architecture is presented. Optimization of the surface enhanced Raman scattering (SERS) response of a glass slide, upon which the coverage of colloidal Au and the extent of Ag coating were varied, was performed to demonstrate the strategy. Results reveal substantial changes in SERS enhancement factors over small alterations in surface morphology.

The first member of the 1(m) series of self-assembled monolayers of thiolates, 1(0), was prepared and it was discovered that its monolayer films, linked to Au and Pt electrodes, were unexpectedly stable in CH2Cl2 and THF, and experienced a chemically reversible one-electron oxidation. Dimethoxynaphthalene and a pair of mercaptomethyl groups are linked to a rigid polynorbornyl bridge in 1(m). 1(m) is significant because of its rigidity, and because the two thiol groups facilitate two-point linkage of the molecule to the metal surface.