Publication
Thermochemical and theoretical study of bipyridines
| dc.contributor.author | Rio, Carolina | |
| dc.contributor.author | Ribeiro da Silva, M. A. V. | |
| dc.contributor.author | Morais, V. M. F. | |
| dc.contributor.author | Matos, M. A. R. | |
| dc.date.accessioned | 2014-10-20T14:59:53Z | |
| dc.date.available | 2014-10-20T14:59:53Z | |
| dc.date.issued | 1995 | |
| dc.description.abstract | The following standard molar enthalpies of formation in the gaseous state at 298.15 K were determined from the enthalpies of combustion of the crystalline solids and the respective enthalpies of sublimation: 2,2’-bipyridine, 267.9 f 3.0 kJ mol-’; 2,4’-bipyridine, 284.2 f 2.7 kJ mol-’; 4,4‘- bipyridine, 293.1 f 3.6 kJ mol-’. Ab initio geometry optimizations of these molecules at the 3-21G level suggest that those with at least one ortho nitrogen atom assume near planar conformations preferentially, while the others have nonplanar most stable forms. | por |
| dc.description.sponsorship | PBIC/C/CEN/1019/92 | |
| dc.identifier.doi | http://dx.doi.org/10.1021/jo00121a056 | |
| dc.identifier.doi | AUT: CRI01087; | |
| dc.identifier.issn | 0022-3263 | |
| dc.identifier.uri | http://hdl.handle.net/10400.1/5379 | |
| dc.language.iso | eng | por |
| dc.peerreviewed | yes | por |
| dc.publisher | American Chemical Society | por |
| dc.relation.publisherversion | http://pubs.acs.org/doi/abs/10.1021/jo00121a056 | por |
| dc.title | Thermochemical and theoretical study of bipyridines | por |
| dc.type | journal article | |
| dspace.entity.type | Publication | |
| oaire.citation.endPage | 5294 | por |
| oaire.citation.startPage | 5291 | por |
| oaire.citation.title | Journal of Organic Chemistry | por |
| oaire.citation.volume | 60 | por |
| person.familyName | Rio | |
| person.givenName | Carolina | |
| person.identifier.ciencia-id | 041C-CEBA-D023 | |
| person.identifier.orcid | 0000-0001-5018-6542 | |
| person.identifier.rid | E-2940-2012 | |
| person.identifier.scopus-author-id | 6701614002 | |
| rcaap.rights | restrictedAccess | por |
| rcaap.type | article | por |
| relation.isAuthorOfPublication | b09a638f-82dc-42a8-88d1-a095b345ba06 | |
| relation.isAuthorOfPublication.latestForDiscovery | b09a638f-82dc-42a8-88d1-a095b345ba06 |