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dc.contributor.author | Verevkin S. | |
dc.contributor.author | Emel'yanenko V. | |
dc.contributor.author | Nagrimanov R. | |
dc.date.accessioned | 2018-09-19T21:04:13Z | |
dc.date.available | 2018-09-19T21:04:13Z | |
dc.date.issued | 2016 | |
dc.identifier.issn | 1089-5639 | |
dc.identifier.uri | https://dspace.kpfu.ru/xmlui/handle/net/143551 | |
dc.description.abstract | © 2016 American Chemical Society.Standard molar enthalpies of formation of 2- and 4-hydroxybenzamides were measured by combustion calorimetry. Vapor pressures of benzamide and 2-hydroxybenzamide were derived by the transpiration method. Standard molar enthalpies of sublimation or vaporization of these compounds at 298 K were obtained from vapor pressure temperature dependence. Thermochemical data on benzamides with hydroxyl, methyl, methoxy, amino, and amide substituents were collected, evaluated, and tested for internal consistency. The high-level G4 quantum-chemical method was used for mutual validation of the experimental and theoretical gas-phase enthalpies of formation. Sets of nearest-neighbor and non-nearest-neighbor interactions between substituents in the benzene ring have been evaluated. A simple incremental procedure has been suggested for a quick appraisal of the vaporization and gas-phase formation enthalpies of the substituted benzamides. (Chemical Equation Presented). | |
dc.relation.ispartofseries | Journal of Physical Chemistry A | |
dc.title | Nearest-neighbor and non-nearest-neighbor interactions between substituents in the benzene ring. Experimental and theoretical study of functionally substituted benzamides | |
dc.type | Article | |
dc.relation.ispartofseries-issue | 49 | |
dc.relation.ispartofseries-volume | 120 | |
dc.collection | Публикации сотрудников КФУ | |
dc.relation.startpage | 9867 | |
dc.source.id | SCOPUS10895639-2016-120-49-SID85017163995 |