Molecular and electronic structures of anionic σ-complexes of 9-nitroanthracene and its derivatives studied byab initio HF/6-31G** calculations

[1]  E. Alifanova,et al.  First Accurate Molecular and Crystal Structure of the Meisenheimer Complex of 2,4,6-Trinitrobenzene , 1998 .

[2]  T. C. Bruice,et al.  On the Dehalogenation Mechanism of 4-Chlorobenzoyl CoA by 4-Chlorobenzoyl CoA Dehalogenase: Insights from Study Based on the Nonenzymatic Reaction , 1997 .

[3]  E. Buncel,et al.  Rationalizing the Regioselectivity in Polynitroarene Anionic .sigma.-Adduct Formation. Relevance to Nucleophilic Aromatic Substitution , 1995 .

[4]  E. Buncel,et al.  AM1 studies on the stabilities of anionic σ-complex regioisomers: thermodynamics of regioselectivity in the reaction of methide, methoxide, and hydroxide anions with electron-deficient aromatics , 1994 .

[5]  Mark S. Gordon,et al.  General atomic and molecular electronic structure system , 1993, J. Comput. Chem..

[6]  B. Y. Simkin,et al.  Theoretical study of mechanisms of aromatic nucleophilic substitution in the gas phase , 1993 .

[7]  A. Cousson,et al.  The crystal structure of the σ-complex of 4,6-dinitrobenzofuroxan and potassium 2-nitropropenide , 1992 .

[8]  Vladimir A. Palyulin,et al.  STEREOCHEMICAL STUDIES. XXXIV. * QUANTITATIVE DESCRIPTION OF RING PUCKERING VIA TORSIONAL ANGLES. THE CASE OF SIX-MEMBERED RINGS , 1990 .

[9]  Olga Kennard,et al.  Tables of bond lengths determined by X-ray and neutron diffraction. Part 1. Bond lengths in organic compounds , 1987 .

[10]  M. Egorov,et al.  Some aspects of anionic .sigma.-complexes , 1982 .

[11]  D. Sgoutas,et al.  Three-step synthesis of methyl sterculate , 1971 .

[12]  R. Williams,et al.  Addition of active methylene and methine compounds to 9-nitroanthracene , 1971 .

[13]  M. Simonetta,et al.  The crystal and molecular structure of the complexes of 2,4,6-trinitrophenetole with caesium or potassium ethoxide (Meisenheimer salts) , 1968 .