frontier orbital造句

• Production of a frontier orbital in an octahedral complex.
• Structures with the same number of frontier orbitals are isolobal to one another.
• Molecular orbital diagram depiction of frontier orbitals in methane and a basic ML 6 metal complex.
• HOMO and LUMO are sometimes referred to as "'frontier orbitals "'in Frontier molecular orbital theory.
• However, removing a ligand to form the first frontier orbital would result in a complex because Mo has obtained an additional electron making it d 7.
• Thus, both reactants can be considered soft . These polarized frontier orbitals are of similar energy, and react efficiently to form a new carbon carbon bond.
• Removal of a ligand is analogous to the removal of hydrogen of methane in the previous example resulting in a frontier orbital, which points toward the removed ligand.
• An example is the [ 1, 3 ]-hydride shift, in which the interacting frontier orbitals are the allyl free radical and the hydrogen 1s orbitals.
• As seen above, when a fragment is formed from CH 4, one of the sp 3 hybrid orbitals involved in bonding becomes a nonbonding singly occupied frontier orbital.
• Early theoretical studies that depended on frontier orbital analysis established that Lewis acid catalysis operates via lowering of the dienophile's LUMO energy, which is still the accepted rationalization.
• The difference in energy between these two frontier orbitals can be used to predict the strength and stability of transition metal complexes, as well as the colors they produce in solution.
• Fukui's own work looked at the frontier orbitals, and in particular the effects of the Highest Occupied Molecular Orbital ( HOMO ) and the Lowest Unoccupied Molecular Orbital ( LUMO ) on reaction mechanisms, which led to it being called Frontier Molecular Orbital Theory ( FMO Theory ).
• Concerted reactions taking place under reductive conditions usually exhibit low regioselectivity due to somewhat indiscriminate frontier orbital control; however, stepwise ( or at least asynchronous ) reactions under basic conditions do exhibit moderate regioselectivity ( attributed to initial formation of a bond between the less sterically hindered ends of the pi systems ).