Croatica Chemica Acta, Vol. 38 No. 4, 1966.
Original scientific paper
Equivalent Orbitals of NH, NH2 and NH3
N. Trinajstić
; Chemical Laboratory, the University of Sussex, Brighton, England
Abstract
Equivalent orbitals of NH, NH2 and NH3 have been d erived
using the procedure based on the criterion of maximum overlap,
from LCAO SCF MO's by Higuchi. Lone pair EO obtained from
such a method contain no contribution from the hydrogen (1 s)
orbitals, in agreement with results based on Pople's method. The
differences in s a nd p character of the N - H bonds and the lone
pairs on nitrogen of NH, NH2 and NH3 have been investigated using
these equivalent orbitals.
Keywords
Hrčak ID:
208148
URI
Publication date:
28.12.1966.
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