Complexes of Zn2+, Cd2+, and Hg2+ with 2-(alpha-hydroxybenzyl)thiamine monophosphate chloride

Απλή σελίδα τεκμηρίου
dc.contributor.authorDodi, K.en
dc.contributor.authorGerothanassis, I. P.en
dc.contributor.authorHadjiliadis, N.en
dc.contributor.authorSchreiber, A.en
dc.contributor.authorBau, R.en
dc.contributor.authorButler, I. S.en
dc.contributor.authorBarrie, P. J.en
dc.date.accessioned2015-11-24T16:54:25Z
dc.date.available2015-11-24T16:54:25Z
dc.identifier.issn0020-1669-
dc.identifier.urihttps://olympias.lib.uoi.gr/jspui/handle/123456789/10151
dc.rightsDefault Licence-
dc.subjectchemical-shift tensorsen
dc.subjectmolecular-structureen
dc.subjectcrystal-structureen
dc.subjectsolid-stateen
dc.subjectmetal-complexesen
dc.subjectnmr-spectraen
dc.subjectthiamineen
dc.subjectvitamin-b1en
dc.subjectderivativesen
dc.subjectmercury(ii)en
dc.titleComplexes of Zn2+, Cd2+, and Hg2+ with 2-(alpha-hydroxybenzyl)thiamine monophosphate chlorideen
heal.abstractThe binding sites of Zn2+, Cd2+, and Hg2+ in complexes with 2-(alpha-hydroxybenzyl)thiamine monophosphate chloride, (LH)Cl-+(-), have been investigated in the solid state [2-(alpha-hydroxybenzyl)thiamin monophosphate chloride monoprotonated at the phosphate group and protonated at N-1' is denoted as (LH)Cl-+(-); therefore, the ligand monoprotonated at the phosphate group and deprotonated at N-1' is L]. Complexes of formulae MLCl(2), M(LH)Cl-3, and (MCl(4))(2-)(LH)(2)(+) (M = Zn2+, Cd2+, and Hg2+) were isolated in aqueous and methanolic solutions, depending on pH. The crystal structure of the complex of formula HgL(2)Cl(2) was solved, together with that of the free ligand (LH)Cl-+(-), by X-ray crystallography. HgL(2)Cl(2) crystallizes in C2/c, with a = 32.968(6) Angstrom, b = 7.477(2) Angstrom, c = 21.471(4) Angstrom, beta = 118.19(1)degrees, V = 4665(2) Angstrom(3), and Z = 4. (LH)Cl-+(-) crystallizes in Cc, with a = 10.951(3) Angstrom, b = 17.579(4) Angstrom, c = 13.373(3) Angstrom, beta = 105.36(2)degrees, V = 2482.4(10) Angstrom(3), and Z = 4. Mercury(II) binds to the N(1') of the pyrimidine ring. Both ligands are in the S conformation [Phi(T) = -98.1(9)degrees and Phi(P) = 176.1(10)degrees for HgL(2)Cl(2) and Phi(T) = 104.1(5)degrees and Phi(P) = 171.9(6)degrees for (LH)Cl-+(-)]. P-31 and C-13 NMR spectra, together with vibrational spectra (IR/Raman), are used to deduce the binding sites of the metal and the protonation states of the ligand at various pH values. It is found that solid-state P-31 NMR spectroscopy is particularly useful in characterizing these complexes as the P-31 shielding tensors are sensitive to the state of the phosphate group. On the other hand, the P-31 NMR spectra indicate that direct bonding between Zn2+ and Cd2+ to the phosphate can occur under certain preparation conditions. Solid-state C-13 NMR and vibrational (IR/Raman) spectroscopic results are also in agreement with the other techniques.en
heal.accesscampus-
heal.fullTextAvailabilityTRUE-
heal.identifier.secondary<Go to ISI>://A1996VP44900023-
heal.identifier.secondaryhttp://pubs.acs.org/doi/pdfplus/10.1021/ic950758x-
heal.journalNameInorg Chemen
heal.journalTypepeer reviewed-
heal.languageen-
heal.publicationDate1996-
heal.publisherAmerican Chemical Societyen
heal.recordProviderΠανεπιστήμιο Ιωαννίνων. Σχολή Θετικών Επιστημών. Τμήμα Χημείαςel
heal.typejournalArticle-
heal.type.elΆρθρο Περιοδικούel
heal.type.enJournal articleen

Αρχεία

Φάκελος/Πακέτο αδειών

Προβολή: 1 - 1 of 1
Μικρογραφία εικόνας
Ονομα:
license.txt
Μέγεθος:
1.74 KB
Μορφότυπο:
Item-specific license agreed upon to submission
Περιγραφή:
Κατεβάστε

Συλλογές

Άρθρα σε επιστημονικά περιοδικά ( Ανοικτά). ΧΗΜ