Orientation-selective ESEEM study and crystal structure of a Cu-II(thiochrome)Cl-2 complex
| dc.contributor.author | Louloudi, M. | en |
| dc.contributor.author | Deligiannakis, Y. | en |
| dc.contributor.author | Tuchagues, J. P. | en |
| dc.contributor.author | Donnadieu, B. | en |
| dc.contributor.author | Hadjiliadis, N. | en |
| dc.date.accessioned | 2015-11-24T16:43:40Z | |
| dc.date.available | 2015-11-24T16:43:40Z | |
| dc.identifier.issn | 0020-1669 | - |
| dc.identifier.uri | https://olympias.lib.uoi.gr/jspui/handle/123456789/8725 | |
| dc.rights | Default Licence | - |
| dc.subject | electron-spin-echo | en |
| dc.subject | pseudotetrahedral copper(ii) complexes | en |
| dc.subject | molecular-structures | en |
| dc.subject | envelope modulation | en |
| dc.subject | metal-ion | en |
| dc.subject | n-14 | en |
| dc.subject | spectra | en |
| dc.subject | imidazole | en |
| dc.subject | thiamine | en |
| dc.subject | spectroscopy | en |
| dc.title | Orientation-selective ESEEM study and crystal structure of a Cu-II(thiochrome)Cl-2 complex | en |
| heal.abstract | The reaction of Cu(II) with 2-(alpha-hydroxybenzyl)thiamine in methanolic solutions produces Cu(I) and thiochrome. The crystal structure of the Cu-II(thiochrome)Cl-2 complex, formed from the reaction media, comprises an infinite array of Cu(thiochrome)Cl-2 neutral units linked together through the N(4'a) and N(1') atoms of thiochrome, coordinated to Cu(II). The copper atom is tetracoordinated with a weak Cu ... N(3') interaction in a compressed tetrahedral environment. Crystallographic data: space group P2(1), a = 7.433(1) Angstrom, b = 11.826(6) Angstrom, c = 10.009(2) Angstrom, beta = 91.25(1)degrees, V = 879.7(5) Angstrom(3), Z = 2. Continuous wave EPR spectroscopy shows that this conformation is retained in frozen solution. Magnetic susceptibility data in the 2-300 K temperature range showed that the mu(eff)/Cu variation (1.68-1.74 mu(B)) was negligible, indicating the absence of magnetic interactions between the Cu(lI) ions. In Cu-II(thiochrome)Cl-2 the magnetic interaction between the N(3') nitrogen of the pyrimidine ring and the copper d(x2-y2) electron spin is detected by ESEEM spectroscopy. The ESEEM data show the existence of a weak magnetic interaction (A(x) = 1.6 MHz, A(y) = 1.4 MHz, A(z) = 1.0 MHz) between the Cu unpaired electron spin and the nucleus of the N-14(3') of the pyrimidine ring. The nuclear quadrupole parameters for the nitrogen (e(2)qQ/h = 3.1 MHz, eta = 0.25) differ from those in crystalline pyrimidine, and this is discussed in terms of the electron distribution on the pyrimidine ring in the Cu-II(thiochrome)Cl-2 complex. It is once more shown that the ESEEM technique can provide useful structural information on similar inorganic systems, in the absence of X-ray diffraction data. | en |
| heal.access | campus | - |
| heal.fullTextAvailability | TRUE | - |
| heal.identifier.primary | Doi 10.1021/Ic970638k | - |
| heal.identifier.secondary | <Go to ISI>://000071441500030 | - |
| heal.identifier.secondary | http://pubs.acs.org/doi/pdfplus/10.1021/ic970638k | - |
| heal.journalName | Inorg Chem | en |
| heal.journalType | peer reviewed | - |
| heal.language | en | - |
| heal.publicationDate | 1997 | - |
| heal.publisher | American Chemical Society | en |
| heal.recordProvider | Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας | el |
| heal.type | journalArticle | - |
| heal.type.el | Άρθρο Περιοδικού | el |
| heal.type.en | Journal article | en |
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