Theoretical Study of the effects of some electron donating groups on intramolecular hydrogen bonding in a phosphorus ylide of pyrrole

In this paper, intramolecular hydrogen bond strength (IHB) in a phosphorus ylide of the pyrrole, in thepresence of electron-donating substituents of the pyrrole ring, is examined theoretically. Analysis of the data obtainedin this paper show that with increasing electron donating obvious strength of substitution, intramolecular hydrogenbond strength (N-H ...O) is reduced.

کلیدواژه ها:

Ylide ، Intramolecular hydrogen bonding ، AIM ، NBO ، Electron-donating group