Ultrafast X - ray Studies of Structural Dynamics
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چکیده
C20 of molecular structures for C70Br10 or C60Cl24, which have been later confirmed by X-ray crystallography (partially with the use of synchrotron radiation). For the mixture of two compounds with known X-ray structures, C60Cl28 and C60Cl30, the experimental IR spectra were interpreted by comparison with the calculated ones using subtle differences for compounds possessing very similar structures. For the mixture of isomeric molecules in the same crystal (examples: C70Cl28 [1], C60F48, and C78Br18 [2]), theoretically predicted structures were helpful in the search for suitable disordering model in LS refinements. Thus, simultaneous use of X-ray crystallography, IR spectroscopy, and theoretical calculations resulted in obtaining highly valuable structural information for many halogenated fullerenes.
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تاریخ انتشار 2005