An MNDO study of dipyridopyrazinium and relation cations: instability of certain fused heteroaromatic dications with two bridgehead nitrogens

Jeffrey G. Eaves; David Parker; Nigel Rudgewick-Brown

doi:10.1139/v86-282

An MNDO study of dipyridopyrazinium and relation cations: instability of certain fused heteroaromatic dications with two bridgehead nitrogens

Jeffrey G. Eaves
, David Parker^*
, Nigel Rudgewick-Brown

^*Corresponding author for this work

Department of Chemistry

Research output: Contribution to journal › Journal article › peer-review

6 Citations (Scopus)

Abstract

MNDO calculations are reported for the series of closed shell aromatic and heteroaromatic molecules and cations 1 to 7. The 14μ dipyrido-dications 1a and 2a are considerably less stable than their dihydro-analogues 1b and 2b and perhaps should not be considered to be "aromatic" cations.

Original language	English
Pages (from-to)	1711-1713
Number of pages	3
Journal	Canadian Journal of Chemistry
Volume	64
Issue number	9
DOIs	https://doi.org/10.1139/v86-282
Publication status	Published - 1 Sept 1986

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title = "An MNDO study of dipyridopyrazinium and relation cations: instability of certain fused heteroaromatic dications with two bridgehead nitrogens",

abstract = "MNDO calculations are reported for the series of closed shell aromatic and heteroaromatic molecules and cations 1 to 7. The 14μ dipyrido-dications 1a and 2a are considerably less stable than their dihydro-analogues 1b and 2b and perhaps should not be considered to be {"}aromatic{"} cations.",

author = "Eaves, \{Jeffrey G.\} and David Parker and Nigel Rudgewick-Brown",

note = "We thank SERC for a studentship (J.G.E.)and Dr. H. S. Rzepa and Professor D. T. Clark for some helpful comments.",

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T1 - An MNDO study of dipyridopyrazinium and relation cations: instability of certain fused heteroaromatic dications with two bridgehead nitrogens

AU - Eaves, Jeffrey G.

AU - Parker, David

AU - Rudgewick-Brown, Nigel

N1 - We thank SERC for a studentship (J.G.E.)and Dr. H. S. Rzepa and Professor D. T. Clark for some helpful comments.

PY - 1986/9/1

Y1 - 1986/9/1

N2 - MNDO calculations are reported for the series of closed shell aromatic and heteroaromatic molecules and cations 1 to 7. The 14μ dipyrido-dications 1a and 2a are considerably less stable than their dihydro-analogues 1b and 2b and perhaps should not be considered to be "aromatic" cations.

AB - MNDO calculations are reported for the series of closed shell aromatic and heteroaromatic molecules and cations 1 to 7. The 14μ dipyrido-dications 1a and 2a are considerably less stable than their dihydro-analogues 1b and 2b and perhaps should not be considered to be "aromatic" cations.

UR - https://www.scopus.com/pages/publications/0004591518

U2 - 10.1139/v86-282

DO - 10.1139/v86-282

M3 - Journal article

AN - SCOPUS:0004591518

SN - 0008-4042

VL - 64

SP - 1711

EP - 1713

JO - Canadian Journal of Chemistry

JF - Canadian Journal of Chemistry

IS - 9

ER -

An MNDO study of dipyridopyrazinium and relation cations: instability of certain fused heteroaromatic dications with two bridgehead nitrogens

Abstract

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