Conjugation Energy
Keyword(s):
The relationship between conjugation energies and self-atom-polarizabilities, previously derived from certain approximate theoretical relationships, is obtained in a more accurate form by an empirical least-squares calculation. An analogous relationship is also derived from calculating conjugation energies when the overlap integral is taken into account. A tabulation of all relevant polarizability data from the literature is presented, and a method of extending the data to larger molecules is described and exemplified. A possible alternative method of deriving conjugation energies is briefly discussed.
Keyword(s):
2014 ◽
Vol 5
(2)
◽
pp. 810
2021 ◽
Vol 12
(6)
◽
pp. 1389-1396
2014 ◽
Vol 10
(3)
◽
pp. 314-337
◽
2020 ◽
Vol 47
(9)
◽
pp. 1143-1159
Keyword(s):