Hydrogen and nitrogen NMR chemical shifts of pentaamminecobalt(III) complexes: correlations with parameters calculated from ligand field spectra

1987 ◽  
Vol 26 (2) ◽  
pp. 314-319 ◽  
Author(s):  
Richard Bramley ◽  
Michael Brorson ◽  
Alan M. Sargeson ◽  
Claus E. Schaffer
Keyword(s):  
Chemical Shifts ◽  
Ligand Field ◽  
Nmr Chemical Shifts ◽  
Ligand Field Spectra

Cobalt-59 NMR chemical shifts of cobalt(III) complexes; correlations with parameters calculated from ligand-field spectra

1985 ◽  
Vol 107 (9) ◽  
pp. 2780-2787 ◽  
Author(s):  
Richard Bramley ◽  
Michael Brorson ◽  
Alan M. Sargeson ◽  
Claus E. Schaeffer
Keyword(s):  
Chemical Shifts ◽  
Ligand Field ◽  
Nmr Chemical Shifts ◽  
Ligand Field Spectra

ChemInform Abstract: COBALT-59 NMR CHEMICAL SHIFTS OF COBALT(III) COMPLEXES; CORRELATIONS WITH PARAMETERS CALCULATED FROM LIGAND-FIELD SPECTRA

1985 ◽  
Vol 16 (36) ◽  
Author(s):  
R. BRAMLEY ◽  
M. BRORSON ◽  
A. M. SARGESON ◽  
C. E. SCHAEFFER
Keyword(s):  
Chemical Shifts ◽  
Ligand Field ◽  
Nmr Chemical Shifts ◽  
Ligand Field Spectra

ChemInform Abstract: Hydrogen and Nitrogen NMR Chemical Shifts of Pentaamminecobalt(III) Complexes: Correlations with Parameters Calculated from Ligand Field Spectra.

ChemInform ◽  
1987 ◽  
Vol 18 (17) ◽  
Author(s):  
R. BRAMLEY ◽  
M. BRORSON ◽  
A. M. SARGESON ◽  
C. E. SCHAEFFER
Keyword(s):  
Chemical Shifts ◽  
Ligand Field ◽  
Nmr Chemical Shifts ◽  
Ligand Field Spectra

Relativistic and Dynamic effects are needed to correctly model the 1H NMR Chemical Shifts of an Iridium Polyhydride Cluster

2020 ◽  
Author(s):  
Abril C. Castro ◽  
David Balcells ◽  
Michal Repisky ◽  
Trygve Helgaker ◽  
Michele Cascella
Keyword(s):  
1H Nmr ◽  
Chemical Shifts ◽  
Dynamic Effects ◽  
Nmr Chemical Shifts

The Coordination Chemistry of Phosphoryl Compounds Containing the — N(CH3)2 Group, Part VIII

1972 ◽  
Vol 27 (7) ◽  
pp. 759-763 ◽  
Author(s):  
M. W. G. De Bolster ◽  
W. L. Groeneveld
Keyword(s):  
Coordination Chemistry ◽  
General Formula ◽  
Ligand Field ◽  
Chemical Analyses ◽  
X Ray ◽  
Physical Measurements ◽  
Ligand Field Spectra ◽  
Chloride Adduct ◽  
Ligand Field Parameters ◽  
Group Part

A number of new solvates and adducts containing bisphenyldimethylaminophosphine oxide is reported. The solvates have the general formula M[(C6H5)2P(O)N(CH3)2]42+(anion-)2, in which M = Mg, Ca, Mn, Fe, Co, Ni, Cu, Zn and Cd, and the anions are ClO4- and BF4-. The adducts have the general formula M[(C6H5)2P(O)N(CH3)2]2Cl2, where M stands for the same series of metals.The compounds are characterized and identified by chemical analyses and physical measurements.Ligand-field and vibrational spectra have been investigated; values for the ligand-field parameters are reported. It is concluded that coordination takes place via the oxygen atom of the ligand.X-ray powder patterns were used in combination with ligand-field spectra to deduce the coordination around the metal ions.The interesting behaviour of the nickel (II) chloride adduct upon heating is discussed and it is shown that both a square pyramidal and a tetrahedral modification exists.

Accurate prediction of 195Pt NMR chemical shifts for a series of Pt(ii) and Pt(iv) antitumor agents by a non-relativistic DFT computational protocol

2014 ◽  
Vol 43 (14) ◽  
pp. 5409-5426 ◽  
Author(s):  
Athanassios C. Tsipis ◽  
Ioannis N. Karapetsas
Keyword(s):  
Dft Calculations ◽  
Anticancer Agents ◽  
Antitumor Agents ◽  
Chemical Shifts ◽  
Accurate Prediction ◽  
Nmr Chemical Shifts ◽  
Relativistic Dft ◽  
Square Planar ◽  
Wide Range ◽  
Computational Protocol

Exhaustive benchmark DFT calculations reveal that the non-relativistic GIAO-PBE0/SARC-ZORA(Pt)∪6-31+G(d)(E) computational protocol predicts accurate 195Pt NMR chemical shifts for a wide range of square planar Pt(ii) and octahedral Pt(iv) anticancer agents.

Computational Protocols for the 19F NMR Chemical Shifts. Part 1: Methodological Aspects

2020 ◽  
Vol 238 ◽  
pp. 109625
Author(s):  
Sergei V. Fedorov ◽  
Leonid B. Krivdin
Keyword(s):  
Chemical Shifts ◽  
19F Nmr ◽  
Nmr Chemical Shifts ◽  
Methodological Aspects
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