The application of a new aromaticity index to six-membered ring heterocycles

Abstract A previously described index of aromatic character has now been applied to six-membered ring heterocycles. Of particular interest is its ability to indicate the extent of aromatic character retained by the amide form of potential hydroxyheterocycles.

[1]  J. Paldus,et al.  Bond length alternation in cyclic polyenes. III. Alternant molecular orbital method , 1983 .

[2]  B D Sharma,et al.  The crystal and molecular structure of isocytosine. , 1965, Acta crystallographica.

[3]  D. Chadwick,et al.  Fungal metabolites Part 9. Isolation and X-Ray structure determination of alternarian acid from Alternaria mali Sp. , 1984 .

[4]  The Group 5 heterobenzenes , 1978 .

[5]  R. E. Marsh,et al.  The crystal structure of cytosine , 1964 .

[6]  E. Oeser,et al.  Molekülstruktur von 4.5.6‐Tris‐[p‐methoxy‐phenyl]‐1.2.3‐triazin , 1972 .

[7]  C. Bugg,et al.  The crystal structure of pyridinium dicyanomethylide, C8H5N3 , 1965 .

[8]  C. W. Bird A new aromaticity index and its application to five-membered ring heterocycles , 1985 .

[9]  G. Sørensen,et al.  Microwave spectra of [13C] and [15N] pyridine N-oxides and a preliminary ring structure , 1975 .

[10]  I. H. Hillier,et al.  An ab initio study of tautomerism of uracil, thymine, 5-fluorouracil, and cytosine , 1984 .

[11]  A. M. Liquori,et al.  The structure of heterocyclic compounds containing nitrogen. I. Crystal and molecular structure of s‐tetrazine , 1956 .

[12]  Stein Egil Sværen,et al.  The Crystal and Molecular Structure of 1,2-Dimethyl-3,6-pyridazinedione. , 1973 .

[13]  J. Paldus,et al.  Bond length alternation in cyclic polyenes. V: Local finite-order perturbation theory approach , 1984 .

[14]  J. Atwood,et al.  1,2,4‐Triazincs XIII. The bond lengths and bond angles of a 1,2,4‐triazine , 1974 .

[15]  J. Paldus,et al.  Bond length alternation in cyclic polyenes. I. Restricted Hartree–Fock method , 1983 .

[16]  F. Mijlhoff,et al.  The molecular structure of pyrazine as determined from gas-phase electron diffraction data , 1977 .

[17]  G. Sørensen,et al.  Microwave spectra of pyridine and monodeuterated pyridines. Revised molecular structure of pyridine , 1977 .