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Surface-Enhanced Resonance Hyper-Raman Scattering Elucidates the Molecular Orientation of Rhodamine 6G on Silver Colloids.
J Phys Chem Lett
April 2017
Department of Chemistry and Biochemistry, University of Notre Dame, Notre Dame, Indiana 46556-5670, United States.
Herein, we utilize surface-enhanced hyper-Raman scattering (SEHRS) under resonance conditions to probe the adsorbate geometry of rhodamine 6G (R6G) on silver colloids. Our results show resonance SEHRS is highly sensitive to molecular orientation due to non-Condon effects, which do not appear in its linear counterpart surface-enhanced Raman scattering. Comparisons between simulated and measured SEHRS spectra reveal R6G adsorbs mostly perpendicular to the nanoparticle surface along the ethylamine groups with the xanthene ring oriented edgewise.
View Article and Find Full Text PDFNanoscale Chemical Imaging of a Dynamic Molecular Phase Boundary with Ultrahigh Vacuum Tip-Enhanced Raman Spectroscopy.
Nano Lett
June 2016
Department of Chemistry, University of Illinois at Chicago, Chicago, Illinois 60607, United States.
Nanoscale chemical imaging of a dynamic molecular phase boundary has broad implications for a range of problems in catalysis, surface science, and molecular electronics. While scanning probe microscopy (SPM) is commonly used to study molecular phase boundaries, its information content can be severely compromised by surface diffusion, irregular packing, or three-dimensional adsorbate geometry. Here, we demonstrate the simultaneous chemical and structural analysis of N-N'-bis(2,6-diisopropylphenyl)-1,7-(4'-t-butylphenoxy)perylene-3,4:9,10-bis(dicarboximide) (PPDI) molecules by UHV tip-enhanced Raman spectroscopy.
View Article and Find Full Text PDFCarbon dioxide adsorption on a ZnO(101[combining macron]0) substrate studied by infrared reflection absorption spectroscopy.
Phys Chem Chem Phys
January 2014
Institut für Funktionelle Grenzflächen, Karlsruher Institut für Technologie, 76021 Karlsruhe, Germany.
The adsorption of carbon dioxide on the mixed-terminated ZnO(101[combining macron]0) surface of a bulk single crystal was studied by UHV Infrared Reflection Absorption Spectroscopy (IRRAS). In contrast to metals, the classic surface selection rule for IRRAS does not apply to bulk oxide crystals, and hence vibrational bands can also be observed for s-polarized light. Although this fact substantially complicates data interpretation, a careful analysis allows for a direct determination of the adsorbate geometry.
View Article and Find Full Text PDFToward Low-Temperature Dehydrogenation Catalysis: Isophorone Adsorbed on Pd(111).
J Phys Chem Lett
March 2012
Fritz-Haber-Institut der Max-Planck-Gesellschaft, Faradayweg 4-6, D-14195, Berlin, Germany.
Adsorbate geometry and reaction dynamics play essential roles in catalytic processes at surfaces. Here we present a theoretical and experimental study for a model functional organic/metal interface: isophorone (C9H14O) adsorbed on the Pd(111) surface. Density functional theory calculations with the Perdew-Burke-Ernzerhoff (PBE) functional including van der Waals (vdW) interactions, in combination with infrared spectroscopy and temperature-programmed desorption (TPD) experiments, reveal the reaction pathway between the weakly chemisorbed reactant (C9H14O) and the strongly chemisorbed product (C9H10O), which occurs by the cleavage of four C-H bonds below 250 K.
View Article and Find Full Text PDFTheoretical study of CCl(4) adsorption and hydrogenation on a Pt (111) surface.
J Phys Chem B
December 2006
Department of Mathematics and Physics, China University of Petroleum, Beijing 102249, P. R. China.
The adsorption and hydrogenation of carbon tetrachloride (CCl(4)) on a Pt (111) surface have been investigated using density functional theory (DFT). We have performed calculations on the adsorption energies and structures of CCl(4) on four different adsorption sites of a Pt (111) surface using the full adsorbate geometry optimization method. The results show that the adsorption energy of all of the potential sites is less than -17 kcal/mol, which indicates that CCl(4) is physiosorbed on a Pt (111) surface through van der Waals interactions.
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