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 |
|