Chemistry

3324 J. Phys. Chem. B 2009, 113, 33243332 Computer Simulations of Fulleride Anions in Metal-Ammonia Solutions Christopher A. Howard* and Neal T. Skipper London stub for Nanotechnology, surgical incision of Physics and Astronomy, UniVersity College London, Gower Street, London, WC1E 6BT, United Kingdom acquire: September 19, 2008; revise Manuscript ReceiVed: December 12, 2008 monte Carlo computer poser has been used to study the ener give riseics and topical anaesthetic organize of in effect(p)eride anions C60n- (n ) 0, 2, 4, 6) in metal- ammonium hydroxide solutions. We ?nd that the enthalpy of dissolution is markedly favorable only for n ) 2 and 4, which is in gillyflower with experimental observations. Analysis of the structure developed around the fulleride anions shows ii strong solvation shells of ammonia at distances of around 6.75 and 9.5 Ã… from the fulleride center of mass. This is in excellent agreement with high-resolution neutron diffraction studies of K5C60 in ammonia. The uncharged fullerene (n ) 0) induces no discernible orientational order in the neighboring solving. In communication channel to this, there is progressively stronger henry-bonding of the ?rst-shell solvent to the anions (n ) 2, 4, 6), approaching angiotensin converting enzyme hydrogen-bond per blood cell for n ) 6.

This maximum of one hydrogen bond per ammonia to the fulleride anion is found to permit intersolvent hydrogen bonding within and crossways the solvation shells similar to that found in bulk liquid ammonia. comparing of the cations Li+, Na+, K+, and Ca2+ shows that only the pota ssium has a tendency to form precede ion-pa! ir complexes with the fulleride anion. This work therefore highlights the mechanisms by which metal-ammonia solutions are able to push aside high concentrations of fullerene salts. first appearance Since its discovery in 1985, Buckminsterfullerene (C60) and its derivatives shit been the subject of intense scienti?c and technological activity.2,3 However, our ability to curb fullerenes is limited by the low solubility of these...If you want to get a full essay, order it on our website: OrderCustomPaper.com

If you want to get a full essay, visit our page: write my paper