Thermal Interconversions of the C16H10 Cyclopenta-Fused Polycyclic Aromatic Hydrocarbons Fluoranthene, Acephenanthrylene and Aceanthrylene Revisited

Autor:	Jan W. Zwikker, Martin Sarobe, Leonardus W. Jenneskens, Judith D. Snoeijer, Jolanda Wesseling
Rok vydání:	1997
Předmět:	Fluoranthene chemistry.chemical_compound chemistry Computational chemistry Organic Chemistry Thermal Thermal decomposition Acephenanthrylene Potential energy surface Chemical stability General Chemistry Physical and Theoretical Chemistry
Zdroj:	Liebigs Annalen. 1997:1207-1213
ISSN:	1099-0690 0947-3440
DOI:	10.1002/jlac.199719970624
Popis:	The thermal interconversion of the C16H10 cyclopenta-fused polycyclic aromatic hydrocarbons (CP-PAH) fluoranthene (1), acephenanthrylene (2) and aceanthrylene (3) has been studied using Flash Vacuum Thermolysis (FVT). In contrast to previously reported flow-pyrolysis results, which gave the unexpected thermodynamic stability order 1 > 3 > 2, FVT temperature-conversion data unequivocally show the expected order 1 > 2 > 3. These results are supported by independent FVT experiments with 9-ethynylphenanthrene (4), 9-ethynylanthracene (5) and 5-(anthryl-9′-methylene)-2,2-dimethyl-1,3-dioxan-4,6-dione (6), which are precursors for acephenanthrylene (2) and aceanthrylene (3), respectively. The interpretation of the FVT results is corroborated by semiempirical AM1 calculations of the C16H10 potential energy surface.
Databáze:	OpenAIRE
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