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Molecular rydberg states. Azulene and 4,6,8-trimethylazulene

✍ Scribed by D. Bouler; W.S. Felps; J. Lewis; R.V. Nauman; S.P. McGlynn

Book ID
103020004
Publisher
Elsevier Science
Year
1979
Tongue
English
Weight
216 KB
Volume
67
Category
Article
ISSN
0009-2614

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Electron spin resonance studies of the anions of some azulene derivatives: 1-tert-butyl-, 1,3-di-tert-butyl- and 4,6,8-trimethylazulene
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## Abstract Hyperfine splitting constants are reported for radical anions of the azulene derivatives 1‐__tert__‐butyl‐, 1,3‐di‐__tert__‐butyl‐ and 4,6,8‐trimethylazulene. Radical anion geometries are optimized at the Hartree‐Fock level of theory using 3–21G and 3–21 + G\* basis sets. The perimeter