The structure of N-allyl derivatives of (5-(2′-pyridyl)-[1,3,4]thiadiazol-2-yl) amine in solution and the solid state studied by the 1H, 13C, 15N NMR spectroscopy, X-ray crystallography and DFT computations

2003 ◽  
Vol 648 (1-2) ◽  
pp. 107-113 ◽  
Author(s):  
Leokadia Strzemecka ◽  
Dorota Maciejewska ◽  
Zofia Urbańczyk-Lipkowska
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
15N Nmr ◽  
X Ray ◽  
Dft Computations ◽  
X Ray Crystallography ◽  
15N Nmr Spectroscopy ◽  
Derivatives Of

scholarly journals Use of 15N NMR spectroscopy to probe covalency in a thorium nitride

2019 ◽  
Vol 10 (26) ◽  
pp. 6431-6436 ◽  
Author(s):  
Selena L. Staun ◽  
Dumitru-Claudiu Sergentu ◽  
Guang Wu ◽  
Jochen Autschbach ◽  
Trevor W. Hayton
Keyword(s):  
Nmr Spectroscopy ◽  
Dft Calculations ◽  
15N Nmr ◽  
X Ray ◽  
X Ray Crystallography ◽  
15N Nmr Spectroscopy

The first isolable molecular thorium nitride, [(NR2)3Th(μ-N)Th(NR2)3]−, was synthesized by reaction of [Th{N(R)(SiMe2)CH2}(NR2)2] with NaNH2 and characterized by X-ray crystallography, 15N NMR spectroscopy, and DFT calculations.

Molecular structure and dynamics of C-1-adamantyl substituted N-unsubstituted pyrazoles studied by solid state NMR spectroscopy and X-ray crystallography

1997 ◽  
pp. 1867-1876 ◽  
Author(s):  
Rosa María Claramunt ◽  
María Dolores Santa María ◽  
Isabelle Forfar ◽  
Francisco Aguilar-Parrilla ◽  
María Minguet-Bonvehí ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
X Ray ◽  
Solid State Nmr Spectroscopy ◽  
X Ray Crystallography ◽  
Structure And Dynamics

The Conformation of Some 1,6-Disulfide-Bridged D-Hexopyranoses

2005 ◽  
Vol 58 (3) ◽  
pp. 199 ◽  
Author(s):  
Ethan D. Goddard-Borger ◽  
Brian W. Skelton ◽  
Robert V. Stick ◽  
Allan H. White
Keyword(s):  
Nmr Spectroscopy ◽  
Single Crystal ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Similar Investigation ◽  
X Ray ◽  
X Ray Crystallography ◽  
Structure Determinations ◽  
Derivatives Of

The use of 1H NMR spectroscopy, in tandem with X-ray crystallography, has cast light on the conformation of the 1,6-disulfide-bridged derivatives of d-gluco-, d-manno-, d-allo-, d-galacto-, and d-talo-pyranose. A similar investigation was performed on the thiosulfinate derived from the d-gluco disulfide. Single-crystal X-ray structure determinations are reported for (1S,5S,6S,7S,8R)-6,7,8-tribenzoyloxy-9-oxa-2,3-dithiabicyclo[3.3.1]nonane, (1S,5S,6S,7R,8R)-6,7,8-tribenzoyloxy-9-oxa-2,3-dithiabicyclo[3.3.1]nonane, and (1S,2S,5S,6S,7S,8R)-6,7,8-triacetoxy-9-oxa-2,3-dithiabicyclo[3.3.1]nonane 2-oxide.

Synthesis, Spectroscopic Characterization, and Structure of closo-1,10-B10H8F22- and Related Fluorinated Derivatives of B10H102-

1997 ◽  
Vol 62 (8) ◽  
pp. 1310-1324 ◽  
Author(s):  
Sergei V. Ivanov ◽  
Svetlana M. Ivanova ◽  
Susie M. Miller ◽  
Oren P. Anderson ◽  
Nikolai T. Kuznetsov ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Single Crystal ◽  
Spectroscopic Characterization ◽  
X Ray ◽  
X Ray Crystallography ◽  
Fluorinated Derivatives ◽  
Derivatives Of

The treatment of salts of the B10H102- anion with the commercially available N-fluoro reagent 1-chloromethyl-4-fluoro-1,4-diazoniabicyclo[2.2.2]octane bis(tetrafluoroborate) (F-TEDA) resulted in the formation of fluorinated derivatives of this ten-vertex borane dianion. The effects of changing the solvent, temperature, and reagent stoichiometry were studied. The derivatives 1-B10H9F2-, 2-B10H9F2-, 1,2-B10H8F22-, 1,6-B10H8F22-, 1,10-B10H8F22-, and 1,2,10-B10H7F32- were examined by a combination of 11B and 19F NMR spectroscopy and by IR spectroscopy. The salt [Ph4P]2[1,10-B10H8F2] . 3 CH2Cl2 was structurally characterized by single-crystal X-ray crystallography: C51H48B10Cl6F2P2, monoclinic, C2/c, a = 13.8134(9), b = 19.141(1), c = 21.136(1) Å, β = 91.546(1)°, Z = 4, T = -100 °C, R = 0.077.

High-Resolution Solid-State 13C and 15N NMR Spectroscopy of Pyrazole and 3,5-Dimethylpyrazole Adsorbed on Alumina and Silica

1994 ◽  
Vol 98 (35) ◽  
pp. 8752-8760 ◽  
Author(s):  
Francisco Aguilar-Parrilla ◽  
Rosa M. Claramunt ◽  
Concepcion Lopez ◽  
Dionisia Sanz ◽  
Hans-Heinrich Limbach ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
High Resolution ◽  
15N Nmr ◽  
15N Nmr Spectroscopy
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