Croatica Chemica Acta, Vol. 40 No. 1, 1968.
Original scientific paper
Theoretical Study of Reactivity of Some Pyrimidine Compounds with Hydrogen Atoms
J. N. Herak
; Ins, itute »Rud er Boskovic«, Zagreb, Croatia, Yugoslavia
Abstract
Presence of different reactions of various substituted pyrimidines
with hydrogen atoms are interpreted in terms of indices of
the molecul ar orbitals in the Hi.ickel approximation. The free
valence indices obtained by using Nmax. = 1.732 are in complete
dissagreement with the observed reactions. Much better correlation
is found if N max . calculated according to the suggestion of Herak
and Trinajstic is used . The lack of any reaction in 2-amino-4,6-
-dihydroxy pyrimidine, 4,6-dihydroxy pyrimidine and 5-methyl
cytosine is explained by the ir high localization energies.
Keywords
Hrčak ID:
208063
URI
Publication date:
15.5.1968.
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