Full structural determination of the GaAs(110)-p(1×1)-Sb (1 ML) surface using chemical-shift photoelectron diffraction

1998 ◽  
Vol 58 (20) ◽  
pp. 13811-13819 ◽  
Author(s):  
H. Ascolani ◽  
J. Avila ◽  
N. Franco ◽  
M. C. Asensio
Keyword(s):  
Chemical Shift ◽  
Structural Determination ◽  
Photoelectron Diffraction

Structural determination of molecules adsorbed in different sites by means of chemical shift photoelectron diffraction: c(4×2)-CO on Pt(111)

2000 ◽  
Vol 459 (1-2) ◽  
pp. L467-L474 ◽  
Author(s):  
F. Bondino ◽  
G. Comelli ◽  
F. Esch ◽  
A. Locatelli ◽  
A. Baraldi ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Structural Determination ◽  
Photoelectron Diffraction

Determination of the lattice relaxation at the Yb(111) surface using chemical-shift photoelectron diffraction

2000 ◽  
Vol 62 (3) ◽  
pp. 1635-1638 ◽  
Author(s):  
M. E. Dávila ◽  
S. L. Molodtsov ◽  
M. C. Asensio ◽  
C. Laubschat
Keyword(s):  
Chemical Shift ◽  
Lattice Relaxation ◽  
Photoelectron Diffraction

Chemical-shift low-energy photoelectron diffraction: A determination of the InP(110) clean surface structural relaxation

1993 ◽  
Vol 71 (20) ◽  
pp. 3387-3390 ◽  
Author(s):  
S. Gota ◽  
R. Gunnella ◽  
Zi-Yu Wu ◽  
G. Jézéquel ◽  
C. R. Natoli ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Structural Relaxation ◽  
Low Energy ◽  
Clean Surface ◽  
Photoelectron Diffraction

STRUCTURAL DETERMINATION OF THE Si/Cu(110) INTERFACE BY PHOTOELECTRON DIFFRACTION

1997 ◽  
Vol 04 (06) ◽  
pp. 1331-1335 ◽  
Author(s):  
C. ROJAS ◽  
J. A. MARTÍn-GAGO ◽  
E. ROMÁN ◽  
G. PAOLUCCI ◽  
B. BRENA ◽  
...  
Keyword(s):  
Room Temperature ◽  
Structural Parameters ◽  
Single Scattering ◽  
Structural Determination ◽  
X Ray ◽  
Photoelectron Diffraction ◽  
First Order ◽  
Proposed Model ◽  
Laboratory Source

Deposition of 0.5 Si monolayer (ML) on a Cu (110) surface at room temperature (RT) leads to the formation of a c(2×2) LEED pattern. In order to find out the surface atomic structure of this ordered phase, X-ray photoelectron diffraction (XPD) azimuthal scans at different photon energies and full hemispherical XPD patterns of the Si 2 p core level have been measured using both synchrotron radiation and a laboratory source. We present an atomic model for the surface structure based on the examination of forward scattering and first order interference XPD features. Refinement of the structural parameters was achieved by performing single scattering cluster (SSC) calculations. In the proposed model Si atoms replace Cu atoms at the surface along the [Formula: see text] atomic rows.

scholarly journals Relative configuration of micrograms of natural compounds using proton residual chemical shift anisotropy

2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Nilamoni Nath ◽  
Juan Carlos Fuentes-Monteverde ◽  
Dawrin Pech-Puch ◽  
Jaime Rodríguez ◽  
Carlos Jiménez ◽  
...  
Keyword(s):  
Chemical Shift ◽  
Residual Dipolar Couplings ◽  
Chemical Shift Anisotropy ◽  
Dipolar Couplings ◽  
Structural Determination ◽  
Proton Proton ◽  
Relative Configuration ◽  
Similar Information ◽  
3D Molecular Structure

Abstract 3D molecular structure determination is a challenge for organic compounds or natural products available in minute amounts. Proton/proton and proton/carbon correlations yield the constitution. J couplings and NOEs oftentimes supported by one-bond 1H,13C residual dipolar couplings (RDCs) or by 13C residual chemical shift anisotropies (RCSAs) provide the relative configuration. However, these RDCs or carbon RCSAs rely on 1% natural abundance of 13C preventing their use for compounds available only in quantities of a few 10’s of µgs. By contrast, 1H RCSAs provide similar information on spatial orientation of structural moieties within a molecule, while using the abundant 1H spin. Herein, 1H RCSAs are accurately measured using constrained aligning gels or liquid crystals and applied to the 3D structural determination of molecules with varying complexities. Even more, deuterated alignment media allow the elucidation of the relative configuration of around 35 µg of a briarane compound isolated from Briareum asbestinum.

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