13C CPMAS NMR studies and DFT calculations of triterpene xylosides isolated from Actaea racemosa

2011 ◽  
Vol 994 (1-3) ◽  
pp. 248-255 ◽  
Author(s):  
Marta K. Jamróz ◽  
Katarzyna Paradowska ◽  
Jan A. Gliński ◽  
Iwona Wawer
Keyword(s):  
Dft Calculations ◽  
Nmr Studies ◽  
13C Cpmas Nmr ◽  
Actaea Racemosa

One new and six known triterpene xylosides from Cimicifuga racemosa: FT-IR, Raman and NMR studies and DFT calculations

2012 ◽  
Vol 93 ◽  
pp. 10-18 ◽  
Author(s):  
Marta K. Jamróz ◽  
Michał H. Jamróz ◽  
Jan Cz. Dobrowolski ◽  
Jan A. Gliński ◽  
Michał Gleńsk
Keyword(s):  
Dft Calculations ◽  
Cimicifuga Racemosa ◽  
Nmr Studies ◽  
Ft Ir

1H, 13C NMR studies and GIAO/DFT calculations of substituted N-(4-aryl-1-piperazinylbutyl) derivatives, new analogues of buspirone

2004 ◽  
Vol 698 (1-3) ◽  
pp. 93-102 ◽  
Author(s):  
Maciej Pisklak ◽  
Jerzy Kossakowski ◽  
Mirosław Perliński ◽  
Iwona Wawer
Keyword(s):  
Dft Calculations ◽  
13C Nmr ◽  
Nmr Studies

Solid-state NMR studies and DFT calculations of flavonoids: baicalein, baicalin and wogonoside

2008 ◽  
Vol 46 (3) ◽  
pp. 215-225 ◽  
Author(s):  
Michał Wolniak ◽  
Jan Oszmiański ◽  
Iwona Wawer
Keyword(s):  
Solid State ◽  
Dft Calculations ◽  
Solid State Nmr ◽  
Nmr Studies

13C CPMAS NMR studies of the elastin-like polypeptide (LGGVG)n

Biopolymers ◽  
2003 ◽  
Vol 70 (2) ◽  
pp. 221-226 ◽  
Author(s):  
Kristin K. Kumashiro ◽  
Tracie L. Kurano ◽  
Walter P. Niemczura ◽  
Marica Martino ◽  
Antonio M. Tamburro
Keyword(s):  
Nmr Studies ◽  
13C Cpmas Nmr

Reactivity of vinylidene complexes of ruthenium with hydrazines and hydroxylamines

2015 ◽  
Vol 44 (7) ◽  
pp. 3439-3446 ◽  
Author(s):  
Gabriele Albertin ◽  
Stefano Antoniutti ◽  
Marco Bortoluzzi ◽  
Alessandra Botter ◽  
Jesús Castro
Keyword(s):  
Dft Calculations ◽  
Reaction Path ◽  
Nmr Studies ◽  
Vinylidene Complexes

Reaction of vinylidene complexes of Ru with hydrazines and hydroxylamines affords nitrile derivatives and amine or water. A reaction path based on 15N NMR studies and DFT calculations is proposed.

An example of conformational disorder in solids: X-ray crystallographic and 13C CPMAS NMR studies of dibenzo and dicyclohexano-13-crown-4 ethers and some lithium complexes

1990 ◽  
Vol 68 (1) ◽  
pp. 49-58 ◽  
Author(s):  
G. W. Buchanan ◽  
R. A. Kirby ◽  
J. P. Charland
Keyword(s):  
Crystal Structure ◽  
Crown Ethers ◽  
Nmr Spectra ◽  
Solid Phase ◽  
Nmr Studies ◽  
13C Cpmas Nmr ◽  
Conformational Disorder ◽  
X Ray ◽  
Lithium Complexes ◽  
Cis Isomer

For the cis–anti–cis isomer of dicyclohexano-13-crown-4 ether, disorder has been detected in the crystal structure, with two conformations being present in the ratio of ca. 3:2. Crystal structures for two Li+ complexes of the cis–syn–cis isomer have also been determined. Representative 13C solid phase NMR spectra are presented and discussed for these systems and the related dibenzo substituted compounds. Keywords: crown ethers, solids, NMR, conformation.

A Möbius-expanded porphyrinoid with 2,3-pyrrollic connection from a planar π-extended BODIPY

2020 ◽  
Vol 24 (01n03) ◽  
pp. 379-385 ◽  
Author(s):  
Adiki Raja Sekhar ◽  
Jeyaraman Sankar
Keyword(s):  
Dft Calculations ◽  
X Ray Diffraction ◽  
Oxidative Dimerization ◽  
Nmr Studies ◽  
X Ray

Herein, the first example of a novel BF[Formula: see text]-complex of octaphyrin with Möbius topology has been revealed. A planar BODIPY precursor offered the macrocycle on oxidative dimerization. An unprecedented 2,3-pyrrolic connectivity was observed for the meso-aryl-substituted octaphyrin(1.0.0.0.1.0.0.0). X-ray diffraction, NMR studies and DFT calculations unambiguously support the Möbius topology.

scholarly journals Alkyl–η2-alkene niobocene and tantalocene complexes with the allyldimethylsilyl–η5-cyclopentadienyl ligand: synthesis, NMR studies and DFT calculations

2004 ◽  
pp. 2943 ◽  
Author(s):  
Pilar Nicolás ◽  
Pascual Royo ◽  
Mikhail V. Galakhov ◽  
Olivier Blacque ◽  
Heiko Jacobsen ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Nmr Studies ◽  
Cyclopentadienyl Ligand ◽  
Ligand Synthesis
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