A bond length ? Bond order relation derived from a morse type sigma electron energy curve

1966 ◽  
Vol 6 (4) ◽  
pp. 354-357 ◽  
Author(s):  
P. C. Boer-Veenendaal ◽  
D. H. W. Boer
Keyword(s):  
Bond Length ◽  
Electron Energy ◽  
Bond Order ◽  
Order Relation ◽  
Energy Curve

A refined LEED structural determination for the surface designated Ni (111)–(2 × 2)–S

1989 ◽  
Vol 67 (11) ◽  
pp. 1975-1979 ◽  
Author(s):  
Y. K. Wu ◽  
K. A. R. Mitchell
Keyword(s):  
Bond Length ◽  
Surface Structure ◽  
Order Relation ◽  
Normal Incidence ◽  
Intensity Analysis ◽  
Ion Scattering ◽  
Low Energy Electron Diffraction ◽  
Adsorption Sites ◽  
Low Energy Electron ◽  
A Current

A new intensity analysis with low-energy electron diffraction is reported for the (2 × 2) surface structure obtained by the adsorption of H2S on the (111) surface of nickel. Intensity-versus-energy curves were measured with a video LEED analyzer for 10 diffracted beams at normal incidence, and comparisons were made with intensity curves calculated with multiple-scattering methods for models in which S atoms chemisorb at three-fold coordinated adsorption sites, but with the possibilities of both lateral and vertical relaxations in the local metallic structure. Small adsorbate-induced relaxations are found, but the dominant structural feature is that the S atoms adsorb above the "expected" adsorption sites (i.e. those which continue the regular fee packing) with a 1.50 Å spacing between the S layer and the top-most Ni layer. The S–Ni bond length of 2.10 Å agrees to within 0.02 Å of a prediction using a current bond length – bond order relation, but this value is smaller than two other recent measurements by SEXAFS and ion scattering by 0.06 and 0.10 Å, respectively. This analysis also finds the first two Ni layer spacings are expanded from the bulk value by 2 to 3%. Keywords: LEED, surface structure, S chemisorption, Ni(III) surface.

Local bond length variations in boron-doped nanocrystalline diamond measured by spatially resolved electron energy-loss spectroscopy

2013 ◽  
Vol 103 (3) ◽  
pp. 032105 ◽  
Author(s):  
Ying-Gang Lu ◽  
Stuart Turner ◽  
Johan Verbeeck ◽  
Stoffel D. Janssens ◽  
Ken Haenen ◽  
...  
Keyword(s):  
Energy Loss ◽  
Bond Length ◽  
Electron Energy ◽  
Electron Energy Loss Spectroscopy ◽  
Nanocrystalline Diamond ◽  
Spatially Resolved ◽  
Boron Doped ◽  
Electron Energy Loss

scholarly journals Relations among Bond Order, Force Constant and Bond Length for the C–C and the C–N Bond in Conjugated Molecules

1957 ◽  
Vol 30 (6) ◽  
pp. 638-647 ◽  
Author(s):  
Tosinobu Anno ◽  
Mitsuo Ito ◽  
Ryoichi Shimada ◽  
Akira Sado ◽  
Wataru Mizushima
Keyword(s):  
Bond Length ◽  
Force Constant ◽  
Bond Order ◽  
Conjugated Molecules

Bond order-bond length relationships in conjugated hydrocarbons - the microwave spectrum and structure of 3,4-dimethylenecyclobutene

1983 ◽  
Vol 36 (4) ◽  
pp. 639 ◽  
Author(s):  
RD Brown ◽  
PD Godfry ◽  
BT Hart ◽  
AL Ottrey ◽  
M Onda ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Bond Length ◽  
Bond Order ◽  
Microwave Spectrum ◽  
Basis Set ◽  
Molecular Orbital Calculations ◽  
Bond Orders ◽  
Bond Lengths ◽  
Typical Error

The microwave spectrum of the benzene isomer 3,4-dimethylenecyclobutene including spectra of all possible single 13C-substituted and sufficient singly and doubly D-substituted species to give a complete r5 geometry, have been measured and analysed. An estimate of the re geometry has also been derived. The additional precise CC bond lengths obtained for an unsubstituted, conjugated hydrocarbon enable us to examine bond order-bond length relationships more thoroughly than has previously been possible. The CC bond lengths exhibit a noticeably better correlation with SCFMO bond orders than with simple H�ckel bond orders. Further confirmatory measurements of the dipole moment of dimethylenecyclobutene have been made. Ab initio molecular orbital calculations using a 6-31G basis set give an optimized geometry with CC bond lengths within 2 pm of the r5 values. The computed dipole moment agrees almost exactly with experiment but a corresponding calculation on fulvene is discrepant with experiment by 0.16 D, which is probably a more typical error.

Oxygen-nickel bond length in Ni(111)-p(2×2)O determined by electron-energy-loss fine-structure spectroscopy

1990 ◽  
Vol 41 (12) ◽  
pp. 8513-8515 ◽  
Author(s):  
L. S. Caputi ◽  
S. L. Jiang ◽  
A. Amoddeo ◽  
R. Tucci
Keyword(s):  
Fine Structure ◽  
Energy Loss ◽  
Bond Length ◽  
Electron Energy ◽  
Electron Energy Loss

Theory of the Relation between Bond Length and Bond Order by an Extended INDO Method

1996 ◽  
Vol 65 (6) ◽  
pp. 1641-1647 ◽  
Author(s):  
Kei Odai ◽  
Hideki Ono ◽  
Hideo Suzuki
Keyword(s):  
Bond Length ◽  
Bond Order ◽  
Indo Method
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