The results of a semiempirical molecular orbital calculation on the ions SO4, SO42−, S2O3, S2O32−, S2O33− are reported and discussed.

1.
V. V.
Gromov
and
J. R.
Morton
,
Can. J. Chem.
44
,
527
(
1966
).
2.
J. R.
Morton
,
Can. J. Chem.
43
,
1948
(
1965
).
3.
M.
Wolfsberg
and
L.
Helmholz
,
J. Chem. Phys.
20
,
837
(
1952
).
4.
R. F.
Fenske
and
C. C.
Sweeney
,
Inorg. Chem.
3
,
1105
(
1964
).
5.
R. F.
Fenske
,
Inorg. Chem.
4
,
33
(
1965
).
6.
F. A.
Cotton
and
T. E.
Haas
,
Inorg. Chem.
3
,
1004
(
1964
).
7.
C. J. Ballhausen and H. B. Gray, Molecular Orbital Theory (W. A. Benjamin, Inc., New York, 1964).
8.
E.
Clementi
, a supplement to
IBM J. Res. Develop.
9
,
2
(
1965
), Tables 45‐1 and 45‐4 in this supplement.
9.
D. P.
Craig
and
C.
Zauli
,
J. Chem. Phys.
37
,
601
(
1962
).
10.
H. Basch (private communication).
11.
C. J.
Ballhausen
and
H. B.
Gray
,
Inorg. Chem.
1
,
111
(
1962
).
12.
The overlap integrals were calculated using the available master formulas.13–17 In these references there are a few errors which have been corrected in later publications: Ref. 13 errata in Ref. 7, p. 269; Ref. 16 errata in Ref. 17, p. 231. In addition there is an error in Ref. 14; in the integral S(2pσ,3dσ) the first term in the square bracket should read −A5(B1−3B3); the numerical results in Table VII of this paper, however, are correct. The master formula for S(1s,3dσ) has not been reported earlier; it is
.
13.
R. S.
Mulliken
,
C. A.
Rieke
,
D.
Orloff
, and
H.
Orloff
,
J. Chem. Phys.
17
,
1248
(
1949
).
14.
H. H.
Jaffé
and
G. O.
Doak
,
J. Chem. Phys.
21
,
196
(
1953
).
15.
H. H.
Jaffé
,
J. Chem. Phys.
21
,
258
(
1953
).
16.
D. P. Craig, A. Maccoll, R. S. Nyholm, L. E. Orgel, and L. E. Sutton, J. Chem. Soc. 1954, 354.
17.
F. A.
Cotton
,
J. Chem. Phys.
35
,
228
(
1961
).
18.
J. Miller, J. M. Gerhauser, and F. A. Matsen, Quantum Chemistry Integrals (Texas University Press, Austin, Tex., 1958), p. B‐1.
19.
R.
Pariser
and
R. G.
Parr
,
J. Chem. Phys.
21
,
466
,
767
(
1953
);
J. A.
Pople
,
Trans. Faraday Soc.
49
,
1375
(
1953
).
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