Abraham, Raymond J.; Cooper, M. Ashley published the artcile< A re-investigation of 4JFF and 5JFF nuclear spin-spin couplings in substituted benzenes, a novel conformational tool>, COA of Formula: C6H3F2I, the main research area is benzene nuclear spin coupling B3LYP.
A theor. anal. of the 4JFF and 5JFF couplings in fluorobenzenes separates the σ and π components of the substituent coefficients The π bond mechanism is dominant but the σ bond mechanism must be included to give accurate values of the couplings. For monosubstituted difluorobenzenes the 4JFF and 5JFF couplings can be predicted from the calculated π densities by linear equations. The use of additive substituent effects allows the prediction of the meta4JFF couplings for multisubstituted compounds The π dependence of the 4JFF coupling in 2,6-difluorobenzenes provides a novel and simple method of determining the torsional angle of the C1 substituent and the benzene ring for non-sym. functional groups (acetyl, carboxymethyl, dimethylamino, amide, nitro etc.). This could be used to determine the geometries of such mols. in biol. systems. The π dependence of the 4JFF coupling is also of importance in the charged species of 2,6-difluoroanilinium (4JFF 2.1 Hz) and 2,6-difluoro-N,N,N-trimethylanilinium (4JFF 0.0 Hz) due to the very different π electron densities.
Physical Chemistry Chemical Physics published new progress about Bond angle, torsional. 2265-92-1 belongs to class iodides-buliding-blocks, and the molecular formula is C6H3F2I, COA of Formula: C6H3F2I.
Referemce:
Iodide – Wikipedia,
Iodide – an overview | ScienceDirect Topics – ScienceDirect.com