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Quantitative structural relationship study of Cis-unsaturated thiocrown ethers and their supramolecular [X-UT-Y][C-60] and [X-UT-Y][La@C-82] complexes

Taherpour, Avat (Arman) (2007) Quantitative structural relationship study of Cis-unsaturated thiocrown ethers and their supramolecular [X-UT-Y][C-60] and [X-UT-Y][La@C-82] complexes. FULLERENES NANOTUBES AND CARBON NANOSTRUCTURES, 15 (6). pp. 405-415.

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Abstract

Unsaturated thiocrown ethers with cis-geometry are a group of crown ethers that, in light of their conformational restriction compared to a corresponding saturated system, and the size their cavities, 1-8 demonstrate interesting properties for physicochemical studies. Endohedral metalofullerenes were first introduced as a new spherical fullerene group with unique properties. One of these molecules is the La@C-82 complex (10). The supramolecular complexes of 1-8 with C-60 and La@C-82 have been shown to possess a host-guest interaction for electron transfer processes, and these behaviors have previously been reported. Topological indices are digital values combined: with chemical constitution purported to correlate chemical structures with various chemical and physical properties. They have been successfully used to construct effective and useful mathematical methods for finding good relationships between structural data and the properties in these materials. To establish a good structural relationship between the structures of molecules 1-10 was utilized an index that is introduced by `'mu(cs `'). This index is the ratio of summation of the number of carbon atoms (n(c)) and the number of sulfur atoms (n(s)) with the product of these two scales for 1-8. In this study, the relationship between this index and maximum wavelength (lambda(max)), cavity size, and oxidation potential (E-ox(1)) of 1-8, as well as the free energy of electron transfer (Delta G(et)) between 1-8 and 10 as [X-UT-Y][La@C-82] complex, are presented.

Item Type:Article
Uncontrolled Keywords:unsaturated thiocrown ethers; endohedral metalofullerenes; free energy of electron transfer; oxidation potential; molecular topology
Subjects:Physical Science > Nano objects
Material Science > Nanochemistry
ID Code:2835
Deposited By:Farnush Anwar
Deposited On:13 Jan 2009 10:36
Last Modified:13 Jan 2009 10:36

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