The Effects of Ring Strain on Cyclic Tetraaryl[5]cumulenes.
Chemistry
; 28(38): e202200616, 2022 Jul 06.
Article
em En
| MEDLINE
| ID: mdl-35476301
ABSTRACT
Cyclic tetraaryl[5]cumulenes (1 a-f) have been synthesized and studied as a function of increasing ring strain. The magnitude of ring strain is approximated by the extent of bending of the cumulenic core as assessed by a combination of X-ray crystallographic analysis and DFT calculations. Trends are observed in 13 C NMR, UV-vis, and Raman spectra associated with ring strain, but the effects are small. In particular, the experimental HOMO-LUMO gap is not appreciably affected by bending of the [5]cumulene framework from ca. 174° (λmax =504â
nm) in 1 a to ca. 178° (λmax =494â
nm) in 1 f.
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MEDLINE
Assunto principal:
Teoria Quântica
/
Análise Espectral Raman
Idioma:
En
Ano de publicação:
2022
Tipo de documento:
Article