Geometry and orientation of molecules intercalated into graphite fluoride layered matrix

Polarization dependencies of the FeK, BrK EXAFS and XANES spectra have been measured for layered graphite fluoride compounds intercalated by Br2, BrF3, FeBr3, Fe(AA)3, FeCl3 molecules to determine the molecules orientation and geometry. The Br2 molecules parameters in the studied compound is found to be substantially different from those in graphite intercalation compounds. Orientation angles limits of the T-shaped BrF3 molecules have been determined using only XANES data while the angles values have been calculated by simultaneously analyzing EXAFS and XANES data. It has been found that heating leads to a formation in the intercalated compound of lens-like regions containing oriented BrF3 molecules. It has been shown that intercalation leads to a distortion of Fe(AA)3 molecules and a formation of Fe2Cl6 dimers.