Neutron-diffraction studies ofBaC6:c-axis compressibility, carbon–carbon bond length, and charge transfer

1987 ◽  
Vol 36 (8) ◽  
pp. 4449-4451 ◽  
Author(s):  
J. E. Fischer ◽  
H. J. Kim ◽  
V. B. Cajipe
1982 ◽  
Vol 20 ◽  
Author(s):  
Miklos Kertesz ◽  
Ferenc Vonderviszt ◽  
Roald Hoffman

ABSTRACTTight binding crystal orbital calculations on infinite layers of graphite have been performed for charge transfer (q) values ranging from −0.15 to +0.15 e/carbon atom. The rC-C carbon-carbon bond lengths have been optimized at several q values. The change of the calculated rC-C values as a function of q fits very well with the experimentally observed variations of the C-C bond lengths of both acceptor and donor compounds of intercalated graphite. The asymmetry of the variation of rC-c with respect to the sign of the charge transfer is related to the slightly antibonding nature (at the level of second neighbor interactions) of the π-electrons around the Fermi level of pristine graphite, similar to those in polyacetylene.


2016 ◽  
Vol 2016 (25) ◽  
pp. 4387-4393 ◽  
Author(s):  
Kaipeng Hou ◽  
Chenli Wang ◽  
Yunfei Zhou ◽  
Ogunlana Abosede ◽  
Xiaoguang Bao

Carbon ◽  
2018 ◽  
Vol 131 ◽  
pp. 72-78 ◽  
Author(s):  
J. Hilbert ◽  
F. Mangolini ◽  
J.B. McClimon ◽  
J.R. Lukes ◽  
R.W. Carpick

The molecular structure of perylene has been studied in the vapour phase by the sector electron diffraction method. The average carbon-carbon bond distance in perylene apart from the peri -bonds was found to be about 0·010 Ǻ longer than the average carbon-carbon bond distance in the naphthalene molecule. The peri -bond length was determined to be 1·493 ± 0·015 Ǻ.


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