Orientation-selective ESEEM study and crystal structure of a Cu-II(thiochrome)Cl-2 complex
Φόρτωση...
Ημερομηνία
Συγγραφείς
Louloudi, M.
Deligiannakis, Y.
Tuchagues, J. P.
Donnadieu, B.
Hadjiliadis, N.
Τίτλος Εφημερίδας
Περιοδικό ISSN
Τίτλος τόμου
Εκδότης
American Chemical Society
Περίληψη
Τύπος
Είδος δημοσίευσης σε συνέδριο
Είδος περιοδικού
peer reviewed
Είδος εκπαιδευτικού υλικού
Όνομα συνεδρίου
Όνομα περιοδικού
Inorg Chem
Όνομα βιβλίου
Σειρά βιβλίου
Έκδοση βιβλίου
Συμπληρωματικός/δευτερεύων τίτλος
Περιγραφή
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.
Περιγραφή
Λέξεις-κλειδιά
electron-spin-echo, pseudotetrahedral copper(ii) complexes, molecular-structures, envelope modulation, metal-ion, n-14, spectra, imidazole, thiamine, spectroscopy
Θεματική κατηγορία
Παραπομπή
Σύνδεσμος
<Go to ISI>://000071441500030
http://pubs.acs.org/doi/pdfplus/10.1021/ic970638k
http://pubs.acs.org/doi/pdfplus/10.1021/ic970638k
Γλώσσα
en
Εκδίδον τμήμα/τομέας
Όνομα επιβλέποντος
Εξεταστική επιτροπή
Γενική Περιγραφή / Σχόλια
Ίδρυμα και Σχολή/Τμήμα του υποβάλλοντος
Πανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείας