The Thermochemical Properties of Naphthalene Derivatives

被引：0

作者：

Miroshnichenko, E. A. ^{[1
]}

Kon'kova, T. S. ^{[1
]}

Matyushin, Yu N. ^{[1
]}

Vorob'ev, A. B. ^{[1
]}

Inozemtsev, J. O. ^{[1
]}

Inozemtsev, A., V ^{[1
]}

机构：

[1] Russian Acad Sci, Semenov Fed Res Ctr Chem Phys, Moscow, Russia

来源：

RUSSIAN JOURNAL OF PHYSICAL CHEMISTRY B | 2022年 / 16卷 / 02期

关键词：

aromatic compounds; enthalpies of the formation of 1-and 2-naphthalene derivatives; enthalpy of the formation of radicals; rearrangement energies of radicals; double difference method; bond dissociation energies; REORGANIZATION; ENTHALPIES;

D O I：

10.1134/S1990793122020191

中图分类号：

O64 [物理化学（理论化学）、化学物理学]; O56 [分子物理学、原子物理学];

学科分类号：

070203 ; 070304 ; 081704 ; 1406 ;

摘要：

The objects of this study are nitro derivatives of naphthalene, of which only 1-nitronaphthalene has experimentally determined enthalpies of the formation in the gas phase by different researchers. Based on the double difference method, the enthalpies of the formation of naphthyl-1 and naphthyl-2 radicals are calculated and used to correct the enthalpies of the formation of 1- and 2-nitronaphthalene and other 1- and 2-naphthalene derivatives. The dissociation energy of bonds D(C-NO2) in 1- and 2-nitronaphthalene are calculated based on the obtained data. In nitrobenzene, the value of this bond coincides with that in 1- and 2-nitronaphthalene. A joint calculation of the C-H and C-C bond energies in naphthalene and benzene (from the enthalpies of atomization) shows that their values are the same. This makes it possible to estimate the rearrangement energy of naphthalene radicals as zero.

引用

页码：207 / 210

页数：4

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