scholarly journals Palladium complexes with simple iminopyridines as catalysts for polyketone synthesis

2016 ◽  
Vol 45 (37) ◽  
pp. 14609-14619 ◽  
Author(s):  
V. Rosar ◽  
D. Dedeic ◽  
T. Nobile ◽  
F. Fini ◽  
G. Balducci ◽  
...  
Keyword(s):  
Systematic Study ◽  
Chemical Shifts ◽  
Palladium Complexes ◽  
Nmr Chemical Shifts ◽  
The Relationship ◽  
Donor Capability ◽  
Catalytic Performances

A systematic study on iminopyridine palladium complexes demonstrates the relationship among NMR chemical shifts, ligand donor capability and catalytic performances.

scholarly journals What can NMR spectroscopy of selenoureas and phosphinidenes teach us about the π-accepting abilities of N-heterocyclic carbenes?

2015 ◽  
Vol 6 (3) ◽  
pp. 1895-1904 ◽  
Author(s):  
Sai V. C. Vummaleti ◽  
David J. Nelson ◽  
Albert Poater ◽  
Adrián Gómez-Suárez ◽  
David B. Cordes ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Chemical Shifts ◽  
Heterocyclic Carbenes ◽  
Carbene Ligands ◽  
Nmr Chemical Shifts ◽  
The Relationship

The relationship between the NMR chemical shifts of phosphinidene and selenourea compounds and the π-accepting ability of the related carbene ligands has been investigated.

scholarly journals The Relationship between NMR Chemical Shifts of Thermally Polarized and Hyperpolarized 89 Y Complexes and Their Solution Structures

2016 ◽  
Vol 22 (46) ◽  
pp. 16657-16667 ◽  
Author(s):  
Yixun Xing ◽  
Ashish K. Jindal ◽  
Martín Regueiro-Figueroa ◽  
Mariane Le Fur ◽  
Nelly Kervarec ◽  
...  
Keyword(s):  
Chemical Shifts ◽  
Nmr Chemical Shifts ◽  
Solution Structures ◽  
The Relationship

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

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.

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