Energetic effects of ether and ketone functional groups in 9,10-dihydroanthracene compound |
| |
Authors: | Vera LS Freitas José RB Gomes Maria DMC Ribeiro da Silva |
| |
Institution: | 1. Centro de Investigação em Química, Departamento de Química e Bioquímica, Faculdade de Ciências, Universidade do Porto, Rua do Campo Alegre, 687, P-4169-007 Porto, Portugal;2. CICECO, Departamento de Química, Universidade de Aveiro, Campus Universitário de Santiago, P-3810-193 Aveiro, Portugal |
| |
Abstract: | The energetic effects caused by replacing one of the methylene groups in the 9,10-dihydroanthracene by ether or ketone functional groups yielding xanthene and anthrone species, respectively, were determined from direct comparison of the standard (p° = 0.1 MPa) molar enthalpies of formation in the gaseous phase, at T = 298.15 K, of these compounds. The experimental static-bomb combustion calorimetry and Calvet microcalorimetry and the computational G3(MP2)//B3LYP method were used to get the standard molar gas-phase enthalpies of formation of xanthene, (41.8 ± 3.5) kJ · mol?1, and anthrone, (31.4 ± 3.2) kJ · mol?1. The enthalpic increments for the substitution of methylene by ether and ketone in the parent polycyclic compound (9,10-dihydroanthracene) are ?(117.9 ± 5.5) kJ · mol?1 and ?(128.3 ± 5.4) kJ · mol?1, respectively. |
| |
Keywords: | |
本文献已被 ScienceDirect 等数据库收录! |
|