What is the difference between molecular geometry and electronic geometry?

Answer 1

The molecular geometry and electronic structure of styrene and methyl methacrylate as well as corresponding radicals formed by the addition of a methyl radical to the -carbon of the monomer were determined using the density functional theory at the B3LYP/6-311+G** level. Results were in good agreement with the theoretical and experimental data available in the literature. Full optimized molecular geometry of methyl methacrylate showed the trans form of the molecule. Monomers transformed into corresponding radicals preserved the main structural parameters of substituents whereas bonds between substituents and adjacent radical carbon atoms shortened. It was found that the correlation of the theoretically calculated electronic parameters for monomers and the corresponding radicals with the Q and e parameters from the Alfrey-Price scheme strongly depends on the level of calculations. Application of the higher level of theory including the correlation effect changes the relationship discussed in the literature between energy (EY) of formation of a radical from the monomer, the experimental e parameter, and the Q parameter and monomer/average electronegativity, respectively. The total atomic spin density at the radical carbon atom correlated with the radical parameter P in the Alfrey-Price scheme was computed to be higher for the methoxycarbonyl-1-methyl-ethyl radical when compared with the 1-phenyl-propyl radical. These values are in good agreement with the localization energies and the P values determined from the kinetic measurements for macroradicals ending with styrene and methyl methacrylate monomer units. © 2001 John Wiley & Sons, Inc. J Polym Sci Part A: Polym Chem 39: 3761-3769, 2001

Answer 2

Molecular geometry refers to the arrangement of atoms in a molecule in three-dimensional space, taking into consideration the position of all atoms and lone pairs. Electronic geometry, on the other hand, refers to the arrangement of electron pairs around a central atom, including both bonding and non-bonding pairs. In many cases, the electronic geometry may differ from the molecular geometry due to the presence of lone pairs.

Answer 3

The geometry of electronic and molecular pairs are the same when they are in lone pairs. However, one of the biggest differences between these two are that electronic pair geometry is determined by lone pairs and bonds, while molecular geometry is determined by bonded atoms.

Answer 4

the electronic geometry gives the rough starting shape of the molecule but once the electron configuration is added it changes the shape of the molecule from the original el.ectronic geometry to the more complex molecular geometry which is a sub-division of the starting electronic geometry

Answer 5

electron pair geometry and molecular geometry won't be the same if there are lone pairs involved.