Here we investigate the effect of combustion operative conditions, namely equivalence ratio, for CD production in a premixed flame reactor. To control final properties of CDs, a thorough analysis of different reactor parameters has to be conducted. There will be less and less, and eventually no splitting of levels, and no bonding or antibonding interactions – no bond can or will form.Flame synthesis could represent a controllable method for production of carbon dots (CDs) with tunable emission properties, alternative to process involving oxidation agents and wet chemistry processing. The greater the gap, the less interaction between the orbitals.The smaller the gap, the greater the ‘splitting of levels’ – a bonding interaction between the molecules will be lower energy, and antibonding interactions higher.The reactivity of two molecules, an electrophile and a nucleophile, can be reduced down to the HOMO-LUMO gap.A lower energy LUMO will have stronger interactions with the HOMO of a nucleophile. In any molecule, the empty orbitals are empty because they are high in energy the lowest unoccupied molecular orbital (LUMO) interacts most with the nucleophile. Regardless, the nucleophile needs an electrophile’s empty orbital to interact with. boron) also makes a molecule electrophilic. The greater the positive charge, the stronger a potential bonding interaction with an electron-rich nucleophile would be. How electron-deficient is the electrophile?.The strength of an electrophile asks the opposite question:.A higher energy HOMO will have stronger interactions with an electrophile. This makes ammonia’s highest occupied molecular orbital (HOMO) higher in energy. The more electronegative oxygen atom in water makes all the filled molecular orbitals, including the lone pair, lower energy than the filled molecular orbitals in ammonia, where nitrogen does not attract its electrons as strongly. The strength of a nucleophile can be explained by molecular orbital theory.Ammonia is therefore a better nucleophile than water. H 2O has two lone pairs on oxygen, which is more electronegative than nitrogen and holds these electron pairs more tightly.īecause nitrogen holds its lone pair less tightly than oxygen, it is better at forming new bonds with it – at donating the electron pair \, to another molecule.NH 3 has a lone pair on nitrogen, which is less electronegative than oxygen.Both molecules can act as a nucleophile by forming bonds using their lone pair, but one is better than the other: We can use the idea of electronegativity to find this out.įor example, compare ammonia (NH 3) and water (H 2O). How available are electrons in the nucleophile?.Identifying a good nucleophile can be done with the question:.The movement of a pair of electrons is shown by a curly arrow. The OH - ion is the nucleophile as this is the electron rich molecule that donated electrons, while the H ion accepted them. Because organic reactions always involve breaking bonds and forming others, which is caused by electrons moving, which is caused by nucleophiles interacting with electrophiles, identifying nucleophiles and electrophiles is INCREDIBLY important in predicting organic reactions.įor a simple example, in the reaction with H and OH - there is a movement of electrons from the hydroxide ion to the H ion to form H 2O.Using these, any organic reaction can be thought of as a nucleophile ‘attacking’ an electrophile and forming a new bond. An electrophile \, (labelled E / E in reaction mechanisms) is an electron poor molecule that accepts electrons.A nucleophile \, (labelled Nu / Nu: / Nu- in reaction mechanisms) is an electron rich molecule that donates electrons, usually to an electron deficient molecule.In organic reactions, there are definitions based on if electrons are being donated \, by or being accepted \, by a molecule:.In most organic reactions, there is a mix of the two.Interactions between opposite charges, and frontier orbitals (an occupied MO of one molecule and an empty MO of the other) both drive this process.Organic reactions involve movement of electrons which breaks bonds in the reactant(s) to make new bonds to form the product(s).To explain the reactivity of nucleophiles with electrophiles using molecular orbital theory.To understand the complementary nature of nucleophiles and electrophiles in driving organic reactions.To recall the meaning of the terms nucleophile and electrophile.
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