Abstract
AM1 semiempirical SCF MO calculations show that the BC conformation is the most stable form of bicyclo[3.3.3]undecane (
References
1.
Leonard N.J.
,
Coll J. C.
,
Wang A. H. J.
,
Missavage R. J.
, and
Paul I. C.
, J. Am. Chem. Soc. , 1971 , 4628 .
2.
Coll J.C.
,
Crist D. R.
,
Barrio M. D. C. G.
, and
Leonard N. J.
, J. Am. Chem. Soc. , 1972 , 7092 .
3.
Sessions R.B.
,
Osguthorpe D. J.
, and
Osguthorpe P. D.
, J. Phys. Chem. , 1995 , 99 , 9034 .
4.
Alder R.W.
, Acc. Chem. Res. , 1983 , 16 , 321 .
5.
Destro R.
,
Pilati T.
,
Simonetta M.
, and
Vogel E.
, J. Am. Chem. Soc. , 1985 , 107 , 3192 .
6.
Gerson F.
,
Knobel J.
,
Buser U.
,
Vogel E.
, and
Zehnder M.
, J. Am. Chem. Soc. , 1986 , 108 , 3781 .
7.
PCMODEL (88.0) Serena Software, Bloomington, IN.
8.
Dewar M.J. S.
,
Zeobish E. G.
,
Healy E. F.
, and
Stewart J. J. P.
, J. Am. Chem. Soc. , 1985 , 107 , 3907 .
9.
Stewart J.J. P.
, J. Comput. Aided Mol. Des. , 1990 , 4 , 1 .
10.
Stewart J.J. P.
, QCPE 581, Department of Chemistry , Indiana University , Bloomington, IN.
11.
Dewar M.J. S.
,
Healy E. F.
, and
Stewart J. J. P.
, J. Chem. Soc., Faraday Trans. , 1980 , 80 , 227 .
12.
McIver J.W.
Jr.
, Acc. Chem. Res. , 1974 , 7 , 72 ; O. Ermer, Tetrahedron , 1975, 31 , 1849.
