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Carbon-I3 Chemical Shifts of Some Pyridines, 2,2'-Bipyridyls and 1,lO-Phenanthrolines

journal contribution
posted on 2023-05-25, 22:18 authored by Marker, A, Allan CantyAllan Canty, Brownlee, RTC
13C chemical shifts of pyridine, 2,2'-bipyridyl and 1,lO-phenanthroline, and some of their methyl derivatives have been determined. All measurements were made on 0.25 M solutions in CDCI3, thus enabling comparisons of chemical shifts and substituent effects to be made without complications from solvent effects. For the three classes of compounds, common correlations exist between 13C chemical shifts and both CNDO/2 and INDO calculated carbon total electron densities, with the results suggesting that CNDO/2 calculations provide more suitable data for empirical correlations with 13C chemical shifts.

History

Publication title

Australian Journal of Chemistry

Volume

31

Article number

6

Number

6

Pagination

1255-1263

ISSN

0004-9425

Publication status

  • Published

Repository Status

  • Restricted

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