19F High Magnetic Field NMR Study of β-ZrF4and CeF4:  From Spectra Reconstruction to Correlation between Fluorine Sites and19F Isotropic Chemical Shifts

2006 ◽  
Vol 45 (26) ◽  
pp. 10636-10641 ◽  
Author(s):  
C. Legein ◽  
F. Fayon ◽  
C. Martineau ◽  
M. Body ◽  
J.-Y. Buzaré ◽  
...  
2020 ◽  
Vol 49 (19) ◽  
pp. 6363-6367
Author(s):  
Soichiro Akagi ◽  
Sho Fujii ◽  
Noboru Kitamura

The strength of zero-magnetic-field splitting in the excited triplet states of metal complexes is reflected in the metal NMR chemical shifts.


1998 ◽  
Vol 246-247 ◽  
pp. 22-26 ◽  
Author(s):  
M. Horvatić ◽  
C. Berthier ◽  
Y. Fagot-Revurat ◽  
N. Piegay ◽  
M.E. Hanson ◽  
...  

2015 ◽  
Vol 93 (9) ◽  
pp. 945-953 ◽  
Author(s):  
Xianqi Kong ◽  
Victor Terskikh ◽  
Abouzar Toubaei ◽  
Gang Wu

We report synthesis and solid-state NMR characterization of two 17O-labeled platinum anticancer drugs: cis-diammine(1,1-cyclobutane-[17O4]dicarboxylato)platinum(II) (carboplatin) and ([17O4]oxalato)[(1R, 2R)-(−)-1,2-cyclohexanediamine)]platinum(II) (oxaliplatin). Both 17O chemical shift (CS) and quadrupolar coupling (QC) tensors were measured for the carboxylate groups in these two compounds. With the aid of plane wave DFT computations, the 17O CS and QC tensor orientations were determined in the molecular frame of reference. Significant changes in the 17O CS and QC tensors were observed for the carboxylate oxygen atom upon its coordination to Pt(II). In particular, the 17O isotropic chemical shifts for the oxygen atoms directly bonded to Pt(II) are found to be smaller (more shielded) by 200 ppm than those for the non-Pt-coordinated oxygen atoms within the same carboxylate group. Examination of the 17O CS tensor components reveals that such a large 17O coordination shift is primarily due to the shielding increase along the direction that is within the O=C–O–Pt plane and perpendicular to the O–Pt bond. This result is interpreted as due to the σ donation from the oxygen nonbonding orbital (electron lone pair) to the Pt(II) empty dyz orbital, which results in large energy gaps between σ(Pt–O) and unoccupied molecular orbitals, thus reducing the paramagnetic shielding contribution along the direction perpendicular to the O–Pt bond. We found that the 17O QC tensor of the carboxylate oxygen is also sensitive to Pt(II) coordination, and that 17O CS and QC tensors provide complementary information about the O–Pt bonding.


ChemInform ◽  
2010 ◽  
Vol 29 (43) ◽  
pp. no-no
Author(s):  
M. HORVATIC ◽  
C. BERTHIER ◽  
Y. FAGOT-REVURAT ◽  
N. PIEGAY ◽  
M. E. HANSON ◽  
...  

2008 ◽  
Vol 77 (Suppl.A) ◽  
pp. 291-293 ◽  
Author(s):  
Satoru Tomisawa ◽  
Takeshi Mito ◽  
Shinji Wada ◽  
Kenjiro Hashi ◽  
Tadashi Shimizu ◽  
...  

1983 ◽  
Vol 31-34 ◽  
pp. 415-416 ◽  
Author(s):  
M. Kawakami ◽  
H.G. Bohn ◽  
H. Lütgemeier ◽  
S. Kunii ◽  
T. Kasuya

1997 ◽  
Vol 66 (9) ◽  
pp. 2870-2874 ◽  
Author(s):  
Takayuki Goto ◽  
Kaichiro Chiba ◽  
Masakatsu Mori ◽  
Takao Suzuki ◽  
Katsutoshi Seki ◽  
...  

2000 ◽  
Vol 10 (PR5) ◽  
pp. Pr5-311-Pr5-314
Author(s):  
M. A. Liberman

Sign in / Sign up

Export Citation Format

Share Document