Deciphering the Conformational Choreography of Zinc Coordination Complexes with Standard and Novel Proton NMR Techniques Combined with DFT Methods

ChemPhysChem ◽  
2016 ◽  
Vol 17 (7) ◽  
pp. 1034-1045 ◽  
Author(s):  
Jose Enrique Herbert Pucheta ◽  
Damien Prim ◽  
Jean Michel Gillet ◽  
Jonathan Farjon
Keyword(s):  
Proton Nmr ◽  
Coordination Complexes ◽  
Dft Methods ◽  
Nmr Techniques ◽  
Zinc Coordination

scholarly journals Network Structure and Inhomogeneities of Model and Commercial Polyelectrolyte Hydrogels as Investigated by Low-Field Proton NMR Techniques

2014 ◽  
Vol 47 (13) ◽  
pp. 4251-4265 ◽  
Author(s):  
Johannes Höpfner ◽  
Gisela Guthausen ◽  
Kay Saalwächter ◽  
Manfred Wilhelm
Keyword(s):  
Network Structure ◽  
Proton Nmr ◽  
Low Field ◽  
Nmr Techniques

Vibrational and Nuclear Magnetic Resonance Properties of 2,2′-Biquinolines: Experimental and Computational Spectroscopy Study

2021 ◽  
Vol 21 (4) ◽  
pp. 2404-2412
Author(s):  
Elisabeta I. Szerb ◽  
Réka-Anita Domokos ◽  
Carmen Creţu ◽  
Massimo La Deda ◽  
Vasile Chiş
Keyword(s):  
Nmr Spectra ◽  
Close Relation ◽  
Tetraethylene Glycol ◽  
Dft Methods ◽  
Trans Conformation ◽  
Parent Molecule ◽  
Resonance Properties ◽  
Computational Data ◽  
Nmr Techniques ◽  
Computational Spectroscopy

Experimental (IR, Raman and NMR) techniques and quantum chemical (DFT) methods have been applied to investigate the vibrational and NMR properties of a new ligand based on 2,2′-biquinoline (bq) functionalized with polar hydrophilic tetraethylene glycol monomethylether (TEG) chains (bq_TEG). Vibrational and NMR spectra of the ligand have been explained based on DFT computational data obtained at B3LYP/6-311+G(d,p) level of theory. For the spectroscopic analysis we started from the parent molecule 2,2′-biquinoline and explained the changes in the spectra of bq_TEG in close relation to the corresponding spectra of bq. Our data point to a trans conformation of bq_TEG in solid state, as wells as in liquid phase. The excellent agreement between the experimental and computed data allowed for a reliable assignment of the vibrational and NMR spectra, both for bq and bq_TEG.

Comparison of Different Zeolites Studied by Two Proton NMR Techniques: Broad-Line at 4 K and High Resolution MAS at 300 K

1994 ◽  
pp. 291-303 ◽  
Author(s):  
L. Heeribout ◽  
V. Semmer ◽  
P. Batamack ◽  
C. Doremieux-morin ◽  
J. Fraissard
Keyword(s):  
High Resolution ◽  
Proton Nmr ◽  
Broad Line ◽  
Nmr Techniques

Zinc coordination complexes as anticancer agents

2021 ◽  
Vol 445 ◽  
pp. 214088
Author(s):  
Maura Pellei ◽  
Fabio Del Bello ◽  
Marina Porchia ◽  
Carlo Santini
Keyword(s):  
Anticancer Agents ◽  
Coordination Complexes ◽  
Zinc Coordination
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