A Bis-Sulfonyl O,C,O Aryl Pincer Ligand and its Tin(II) Complex: Synthesis, Structural Studies, and DFT Calculations

2014 ◽  
Vol 127 (3) ◽  
pp. 819-822 ◽  
Author(s):  
Mohammad El Ezzi ◽  
Romaric Lenk ◽  
David Madec ◽  
Jean-Marc Sotiropoulos ◽  
Sonia Mallet-Ladeira ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Structural Studies ◽  
Pincer Ligand

A Bis-Sulfonyl O,C,O Aryl Pincer Ligand and its Tin(II) Complex: Synthesis, Structural Studies, and DFT Calculations

2014 ◽  
Vol 54 (3) ◽  
pp. 805-808 ◽  
Author(s):  
Mohammad El Ezzi ◽  
Romaric Lenk ◽  
David Madec ◽  
Jean-Marc Sotiropoulos ◽  
Sonia Mallet-Ladeira ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Structural Studies ◽  
Pincer Ligand

Structural studies on aryl-substituted enaminoketones and their thio analogues. Part I. Analysis of high-resolution 1 H, 13 C NMR and 13 C CP MAS spectra combined with GIAO-DFT calculations

2009 ◽  
Vol 47 (10) ◽  
pp. 830-842 ◽  
Author(s):  
Marta Bugaj ◽  
Piotr A. Baran ◽  
Piotr Bernatowicz ◽  
Patrycja Brożek ◽  
Krystyna Kamieńska-Trela ◽  
...  
Keyword(s):  
High Resolution ◽  
Dft Calculations ◽  
Structural Studies ◽  
C Nmr

scholarly journals Structural studies of two capsaicinoids: dihydrocapsaicin and nonivamide. 13C and 15N MAS NMR supported by genetic algorithm and GIAO DFT calculations

RSC Advances ◽  
2020 ◽  
Vol 10 (31) ◽  
pp. 18082-18092
Author(s):  
Paweł Siudem ◽  
Jarosław Bukowicki ◽  
Iwona Wawer ◽  
Katarzyna Paradowska
Keyword(s):  
Genetic Algorithm ◽  
Dft Calculations ◽  
Mas Nmr ◽  
Structural Studies

The conformations of dihydrocapsaicin and nonivamide were studied by ssNMR spectroscopy supported by theoretical DFT/GIAO and genetic algorithm calculations.

Structural studies of PCU-hydrazones: NMR spectroscopy, X-ray diffractions, and DFT calculations

2011 ◽  
Vol 997 (1-3) ◽  
pp. 46-52 ◽  
Author(s):  
Jelena Veljković ◽  
Marina Šekutor ◽  
Krešimir Molčanov ◽  
Rabindranath Lo ◽  
Bishwajit Ganguly ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
Structural Studies ◽  
X Ray

Syntheses, X-ray Structures, Photochemistry, Redox Properties, and DFT Calculations of Interconvertiblefac- andmer-[Mn(SPS)(CO)3] Isomers Containing a Flexible SPS-Based Pincer Ligand†

2005 ◽  
Vol 44 (25) ◽  
pp. 9213-9224 ◽  
Author(s):  
Marjolaine Doux ◽  
Nicolas Mézailles ◽  
Louis Ricard ◽  
Pascal Le Floch ◽  
Pedro D. Vaz ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Redox Properties ◽  
Pincer Ligand ◽  
X Ray
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