Synthesis, characterization and catalytic ATP-hydrolysis of two tetrairon(iii) complexes bridged by succinate/terephthalate with tris(2-benzimidazolylmethyl) amineElectronic supplementary information (ESI) available: Fig. S1: 1H NMR spectrum of 2 in d6-DMSO at room temperature. See http://www.rsc.org/suppdata/dt/b3/b303369b/

2003 ◽  
pp. 2164 ◽  
Author(s):  
Dong-feng Li ◽  
Zhan-ru Liao ◽  
Yong-ge Wei ◽  
Fei Du ◽  
Ming Wang ◽  
...  

Author(s):  
Vitaly E. Matulis ◽  
Ekaterina G. Ragoyja ◽  
Tatiyana V. Serebryanskaya ◽  
Yuri V. Grigoriev ◽  
Oleg A. Ivashkevich

It has been shown that the WP04 functional in combination with moderate basic sets 6-31G(d) and SDD allows to calculate characteristics of 1H NMR-spectrum of metal complexes with ligands based on tetrazole derivatives with high accuracy, which can be used to assign signals in the NMR-spectra. The process of hydrolysis of the isomeric platinum(II) chloride complexes with (2-isopropyltetrazol-5-yl)acetic acid has been investigated using the methods of quantum chemistry and NMR-spectroscopy. An explanation of the changes of signals in the 1H NMR-spectra of the considered complexes during their hydrolysis is given.



2005 ◽  
Vol 60 (1-2) ◽  
pp. 121-126 ◽  
Author(s):  
B. Louati ◽  
K. Guidara ◽  
M. Gargouri ◽  
M. Fourati

CaHPO4 and SrHPO4 were investigated using Raman, 1H NMR and 31P NMR techniques to study the environment of their PO3−4 tetrahedra and the percentage of mobile protons. 1H NMR spectra at room temperature suggest the presence of three types of protons, in agreement with RX investigation. The percentage of mobile protons in SrHPO4 is greater than in CaHPO4 because Sr2+ is bigger than Ca2+. 31P NMR spectra at room temperature show two lines in the spectrum of SrHPO4, revealing an equal environment of two sets of pairs of PO3− 4 . The 31P NMR spectrum of CaHPO4, however, exhibits three lines. This result was confirmed using a cross polarization (CP) sequence program. The first peak is attributed to the first set of pairs of P(1)O4 units and the two other ones to P(2)O4 and P(2)O4 units.



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