Elucidation of the resting state of a rhodium NNN-pincer hydrogenation catalyst that features a remarkably upfield hydride 1H NMR chemical shift

2016 ◽  
Vol 52 (3) ◽  
pp. 586-589 ◽  
Author(s):  
Mikko M. Hänninen ◽  
Matthew T. Zamora ◽  
Connor S. MacNeil ◽  
Jackson P. Knott ◽  
Paul G. Hayes
Keyword(s):  
Chemical Shift ◽  
1H Nmr ◽  
Resting State ◽  
Hydrogenation Catalyst ◽  
Pincer Ligand ◽  
Nmr Chemical Shift ◽  
H Nmr ◽  
1H Nmr Chemical Shift

Rhodium(i) alkene complexes of an NNN-pincer ligand catalyze the hydrogenation of alkenes. The terminal or resting state of the catalyst, which exhibits an unusually upfield Rh–hydride 1H NMR chemical shift, has been identified.

Towards Accurate 1H NMR Chemical Shift Predictions with Density Functional Theory

2021 ◽  
Author(s):  
Júlia Maria Aragon Alves ◽  
Marcelo T. de Oliveira ◽  
Braga Ataualpa ◽  
Cristina A. Barboza
Keyword(s):  
Density Functional Theory ◽  
Chemical Shift ◽  
1H Nmr ◽  
Density Functional ◽  
Nmr Chemical Shift ◽  
Functional Theory ◽  
1H Nmr Chemical Shift

Correlation of 1H NMR Chemical Shift for Alcohol + Inert Solvent Mixtures by LFHB Model

2005 ◽  
Vol 21 (11) ◽  
pp. 1295-1298
Author(s):  
LAN Rong ◽  
◽  
LI Hao-ran ◽  
HAN Shi-jun
Keyword(s):  
Chemical Shift ◽  
1H Nmr ◽  
Solvent Mixtures ◽  
Nmr Chemical Shift ◽  
Inert Solvent ◽  
1H Nmr Chemical Shift

From simple amphiphilic to surfactant behavior: Analysis of 1H NMR chemical shift variations

2007 ◽  
Vol 316 (1) ◽  
pp. 31-36 ◽  
Author(s):  
Cristiano Andrade-Dias ◽  
Sérgio Lima ◽  
José J.C. Teixeira-Dias
Keyword(s):  
Chemical Shift ◽  
Behavior Analysis ◽  
1H Nmr ◽  
Nmr Chemical Shift ◽  
1H Nmr Chemical Shift

scholarly journals Surface interactions in the complex between cytochrome f and the E43Q/D44N and E59K/E60Q plastocyanin double mutants as determined by 1H-NMR chemical shift analysis

2008 ◽  
Vol 10 (12) ◽  
pp. 2623-2626
Author(s):  
Anders Bergkvist ◽  
Mikael Ejdebäck ◽  
Marcellus Ubbink ◽  
B. Göran Karlsson
Keyword(s):  
Chemical Shift ◽  
1H Nmr ◽  
Surface Interactions ◽  
Cytochrome F ◽  
Nmr Chemical Shift ◽  
Shift Analysis ◽  
Chemical Shift Analysis ◽  
1H Nmr Chemical Shift

1H NMR chemical shift value of the isoflavone 5-hydroxyl proton as a convenient indicator of 6-substitution or 2'-hydroxylation

1991 ◽  
Vol 30 (5) ◽  
pp. 1683-1689 ◽  
Author(s):  
Satoshi Tahara ◽  
John L. Ingham ◽  
Fujinori Hanawa ◽  
Junya Mizutani
Keyword(s):  
Chemical Shift ◽  
1H Nmr ◽  
Nmr Chemical Shift ◽  
Hydroxyl Proton ◽  
1H Nmr Chemical Shift

scholarly journals Structural analysis of flavonoids in solution through DFT 1H NMR chemical shift calculations: Epigallocatechin, Kaempferol and Quercetin

2017 ◽  
Vol 676 ◽  
pp. 46-52 ◽  
Author(s):  
Leonardo A. De Souza ◽  
Wagner M.G. Tavares ◽  
Ana Paula M. Lopes ◽  
Malucia M. Soeiro ◽  
Wagner B. De Almeida
Keyword(s):  
Structural Analysis ◽  
Chemical Shift ◽  
1H Nmr ◽  
Nmr Chemical Shift ◽  
Chemical Shift Calculations ◽  
1H Nmr Chemical Shift

Deuteration Studies of Tp*IrH4 (Tp* = HB(3,5-Me2pz)3): Observation of Very Unusual 1H NMR Chemical Shift Effects

1994 ◽  
Vol 116 (10) ◽  
pp. 4519-4520 ◽  
Author(s):  
Margarita Paneque ◽  
Manuel L. Poveda ◽  
Soraya Taboada
Keyword(s):  
Chemical Shift ◽  
1H Nmr ◽  
Nmr Chemical Shift ◽  
1H Nmr Chemical Shift
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