Please use this identifier to cite or link to this item:
http://acervodigital.unesp.br/handle/11449/31833Full metadata record
| DC Field | Value | Language |
|---|---|---|
| dc.contributor.author | Treu-Filho, Oswaldo | - |
| dc.contributor.author | Pinheiro, Jose C. | - |
| dc.contributor.author | de Souza, Rodrigo A. | - |
| dc.contributor.author | Kondo, Rogerio T. | - |
| dc.contributor.author | de Paula Ferreira, Raimundo D. | - |
| dc.contributor.author | de Figueiredo, Antonio F. | - |
| dc.contributor.author | Mauro, Antonio Eduardo | - |
| dc.date.accessioned | 2014-05-20T15:20:33Z | - |
| dc.date.accessioned | 2016-10-25T17:53:43Z | - |
| dc.date.available | 2014-05-20T15:20:33Z | - |
| dc.date.available | 2016-10-25T17:53:43Z | - |
| dc.date.issued | 2007-12-01 | - |
| dc.identifier | http://dx.doi.org/10.1016/j.inoche.2007.09.017 | - |
| dc.identifier.citation | Inorganic Chemistry Communications. Amsterdam: Elsevier B.V., v. 10, n. 12, p. 1501-1504, 2007. | - |
| dc.identifier.issn | 1387-7003 | - |
| dc.identifier.uri | http://hdl.handle.net/11449/31833 | - |
| dc.identifier.uri | http://acervodigital.unesp.br/handle/11449/31833 | - |
| dc.description.abstract | Theoretical molecular structures of the complexes cis-[PdCl2(tmen)] and cis-[Pd(N-3)(2)(tmen)] (tmen = N,N,N',N'-tetramethylethylenediamine) were investigated using B3LYP/DFT method. The calculated molecular parameters, bond distances and angles, revealed a square-planar geometry around the metallic center for both compounds with the azide being linear. The theoretical infrared spectra of C, symmetry (electronic state (1)A) of the compounds are in agreement with the experimental data. (C) 2007 Elsevier B.V. All rights reserved. | en |
| dc.format.extent | 1501-1504 | - |
| dc.language.iso | eng | - |
| dc.publisher | Elsevier B.V. | - |
| dc.source | Web of Science | - |
| dc.subject | palladium(II) | pt |
| dc.subject | N,N,N ',N '-tetramethylethylenediamine | pt |
| dc.subject | infrared spectrum | pt |
| dc.subject | molecular structure | pt |
| dc.subject | DFT | pt |
| dc.title | Molecular structures and vibrational frequencies for cis-[PdCl2(tmen)] and cis-[Pd(N-3)(2)(tmen)]: A DFT study | en |
| dc.type | outro | - |
| dc.contributor.institution | Universidade Estadual Paulista (UNESP) | - |
| dc.contributor.institution | Universidade Federal do Pará (UFPA) | - |
| dc.contributor.institution | Universidade de São Paulo (USP) | - |
| dc.description.affiliation | UNESP, Inst Quim Araraquara, BR-14801970 Araraquara, SP, Brazil | - |
| dc.description.affiliation | UFPA, Lab Quim Teor & Comp, Dept Quim, Ctr Ciências Exatas & Nat, BR-66075110 Belem, Para, Brazil | - |
| dc.description.affiliation | USP, Ctr Informat Sao Carlos, BR-13560970 Sao Carlos, SP, Brazil | - |
| dc.description.affiliationUnesp | UNESP, Inst Quim Araraquara, BR-14801970 Araraquara, SP, Brazil | - |
| dc.identifier.doi | 10.1016/j.inoche.2007.09.017 | - |
| dc.identifier.wos | WOS:000251977500028 | - |
| dc.rights.accessRights | Acesso restrito | - |
| dc.relation.ispartof | Inorganic Chemistry Communications | - |
| Appears in Collections: | Artigos, TCCs, Teses e Dissertações da Unesp | |
There are no files associated with this item.
Items in DSpace are protected by copyright, with all rights reserved, unless otherwise indicated.