CONFORMATION ANALYSIS OF THE COMPOUND C7H8Br4 AND OPTIMIZATION BY QUANTUM MECHANICAL METHODS, COMPARING THE ELECTRONIC AND STRUCTURAL PARAMETERS OBTAINED WITH THE RESULTS OF X-RAY STRUCTURE ANALYSIS
In this study, the geometry of the compound whose structure was determined by X-ray single crystal diffraction was optimized by the molecular and quantum mechanical methods. The electronic and structural parameters obtained were compared with the experimental results. Key words: Conformation analysis, exo,endo,exo,exo-2,3,5,6- tetrabromonorbornane, electronic and structural parameters