A computational analysis of electronic effects of borazine and its monosubstituted derivatives
Review articleOpen access
Abstract:

AbstractThe effect of several subtituent groups on the borazine ring has been investigated by an ab initio molecular orbital (SCF) method at the 6-31G level. The optimized geometry was used to calculate the molecular electrostatic potential of these structures at the 6-31G level. The negative potentials generated near the B-H protons suggest that these protons are more easily substituted than the N-H protons in borazine. The magnitude of the negative potential near the B-H protons decreases in the order OH > F > NO2, reflecting their varying electron-withdrawing ability. Both the methyl and amino groups tend to increase this negative potential indicating their electron-donating ability.

Request full text

References (0)

Cited By (0)

No reference data.
No citation data.
Advertisement
Join Copernicus Academic and get access to over 12 million papers authored by 7+ million academics.
Join for free!