## Abstract The NMR assignments of all carbons of dibenzothiophene and its __S__βoxides, dibenzofuran, various carbazoles, fluorene and fluorenone have been carried out using deuteriated derivatives and lanthanide shift reagents. Chemical shifts and coupling constants are discussed as a function of
Lattice-dynamical calculations for fluorene, carbazole, dibenzofuran and dibenzothiophen
β Scribed by Giuseppe Filippini; Carlo M. Gramaccioli; Massimo Simonetta
- Publisher
- Elsevier Science
- Year
- 1981
- Tongue
- English
- Weight
- 440 KB
- Volume
- 79
- Category
- Article
- ISSN
- 0009-2614
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β¦ Synopsis
For crystalbrie fluorene, carbazole, dibenzofuran and dibenzothlophen several propertles have been calculated using semiemplrlcal atom-atom potentrals Calculated geometrxal parameters. Raman-actlvc htt:ce frcquencles, cnthalples of subhma-Uon and crystallographic temperature factors agree with observed values However. except for dlberuothlophen, mfraredactive httrce frequencies are not consistent ~th any potential so far tried
π SIMILAR VOLUMES
Lattice+dynamical calculations for evidently non-rigid molecules of aromatic hydrocarbons have been carried out on tetracene and pentacene. In these substances, "out-of-pf;ute" vibrations niix extensively with lattice vt%rations, and signif& cant differences can be noted between results from a Xgid-