Model Valence-Bond Studies of Aspects of Electron Conduction along a Linear Chain of Lithium Atoms

2003 ◽  
Vol 107 (19) ◽  
pp. 3877-3883 ◽  
Author(s):  
Richard D. Harcourt ◽  
Michelle L. Styles
1991 ◽  
Vol 05 (11) ◽  
pp. 741-746
Author(s):  
M. HAGIWARA ◽  
K. KATSUMATA

We have studied the typical spin one linear chain Heisenberg antiferromagnet, Ni ( C 2 H 8 N 2)2 NO 2( ClO 4) containing a small amount of Cu2+ by electron spin resonance (ESR) technique. The ESR results are successfully explained by the model that the valence bonds in the valence bond solid state are broken at the Cu 2+ sites resulting in fractional spin degrees of freedom at the Ni 2+ sites neighboring the Cu 2+.


Author(s):  
Douglas L. Dorset

A variety of linear chain materials exist as polydisperse systems which are difficultly purified. The stability of continuous binary solid solutions assume that the Gibbs free energy of the solution is lower than that of either crystal component, a condition which includes such factors as relative molecular sizes and shapes and perhaps the symmetry of the pure component crystal structures.Although extensive studies of n-alkane miscibility have been carried out via powder X-ray diffraction of bulk samples we have begun to examine binary systems as single crystals, taking advantage of the well-known enhanced scattering cross section of matter for electrons and also the favorable projection of a paraffin crystal structure posited by epitaxial crystallization of such samples on organic substrates such as benzoic acid.


Author(s):  
G. L. Kellogg ◽  
P. R. Schwoebel

Although no longer unique in its ability to resolve individual single atoms on surfaces, the field ion microscope remains a powerful tool for the quantitative characterization of atomic processes on single-crystal surfaces. Investigations of single-atom surface diffusion, adatom-adatom interactions, surface reconstructions, cluster nucleation and growth, and a variety of surface chemical reactions have provided new insights to the atomic nature of surfaces. Moreover, the ability to determine the chemical identity of selected atoms seen in the field ion microscope image by atom-probe mass spectroscopy has increased or even changed our understanding of solid-state-reaction processes such as ordering, clustering, precipitation and segregation in alloys. This presentation focuses on the operational principles of the field-ion microscope and atom-probe mass spectrometer and some very recent applications of the field ion microscope to the nucleation and growth of metal clusters on metal surfaces.The structure assumed by clusters of atoms on a single-crystal surface yields fundamental information on the adatom-adatom interactions important in crystal growth. It was discovered in previous investigations with the field ion microscope that, contrary to intuition, the initial structure of clusters of Pt, Pd, Ir and Ni atoms on W(110) is a linear chain oriented in the <111> direction of the substrate.


2001 ◽  
Vol 99 (1) ◽  
pp. 65-76 ◽  
Author(s):  
Yiping Tang, Zhaohui Wang, Benjamin C.-Y.

1986 ◽  
Vol 47 (6) ◽  
pp. 967-972 ◽  
Author(s):  
A.S. da Rosa Simões ◽  
J.R. Iglesias
Keyword(s):  

2019 ◽  
Author(s):  
Ishita Bhattacharjee ◽  
Debashree Ghosh ◽  
Ankan Paul

The question of quadruple bonding in C<sub>2</sub> has emerged as a hot button issue, with opinions sharply divided between the practitioners of Valence Bond (VB) and Molecular Orbital (MO) theory. Here, we have systematically studied the Potential Energy Curves (PECs) of low lying high spin sigma states of C<sub>2</sub>, N<sub>2</sub> and Be<sub>2</sub> and HC≡CH using several MO based techniques such as CASSCF, RASSCF and MRCI. The analyses of the PECs for the<sup> 2S+1</sup>Σ<sub>g/u</sub> (with 2S+1=1,3,5,7,9) states of C<sub>2</sub> and comparisons with those of relevant dimers and the respective wavefunctions were conducted. We contend that unlike in the case of N<sub>2</sub> and HC≡CH, the presence of a deep minimum in the <sup>7</sup>Σ state of C<sub>2</sub> and CN<sup>+</sup> suggest a latent quadruple bonding nature in these two dimers. Hence, we have struck a reconciliatory note between the MO and VB approaches. The evidence provided by us can be experimentally verified, thus providing the window so that the narrative can move beyond theoretical conjectures.


1978 ◽  
Vol 43 (5) ◽  
pp. 1375-1392 ◽  
Author(s):  
Ante Graovac ◽  
Ivan Gutman ◽  
Milan Randić ◽  
Nenad Trinajstić

Author(s):  
Nathan J Yutronkie ◽  
Benjamin King ◽  
Owen Alfred Melville ◽  
Benoit Hugo Lessard ◽  
Jaclyn L Brusso

The perfluorinated analogue of silicon phthalocyanine (F2-F16SiPc) has been synthesized as a novel air-stable n-type organic semiconductor. The design of F2-F16SiPc facilitates strong electron conduction through peripheral fluorination that deepens...


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