The slip-fold distortion of .pi.-bound indenyl ligands. Dynamic NMR and x-ray crystallographic studies of (.eta.-indenyl)RhL2 complexes

1987 ◽  
Vol 6 (9) ◽  
pp. 2012-2014 ◽  
Author(s):  
Todd B. Marder ◽  
Joseph C. Calabrese ◽  
D. Christopher. Roe ◽  
Thomas H. Tulip
Keyword(s):  
Dynamic Nmr ◽  
X Ray

Dynamic NMR and X-ray Studies of Chelated Lithium Phenolates. Tetramers with Pentacoordinate Lithium

1997 ◽  
Vol 62 (25) ◽  
pp. 8923-8927 ◽  
Author(s):  
Nikolai A. Khanjin ◽  
Fredric M. Menger
Keyword(s):  
Dynamic Nmr ◽  
X Ray

A Conformational Study of [3.3](2,6)Pyridinophane by the Dynamic NMR Method and X-ray Structural Analysis

1996 ◽  
Vol 1996 (10) ◽  
pp. 1645-1649 ◽  
Author(s):  
Katsuya Sako ◽  
Hitoshi Tatemitsu ◽  
Satoru Onaka ◽  
Hiroyuki Takemura ◽  
Satoshi Osada ◽  
...  
Keyword(s):  
Structural Analysis ◽  
Dynamic Nmr ◽  
Conformational Study ◽  
X Ray ◽  
Nmr Method

Spectroscopic and dynamic NMR study, X-ray crystallography and DFT calculations of two phosphoramidates: (C4H3O2)P(O)(Cl)C6H14N and (C4H3O2)P(O)(C6H11NH)2

2013 ◽  
Vol 1046 ◽  
pp. 64-73 ◽  
Author(s):  
F.M. Oliveira ◽  
L.C.A. Barbosa ◽  
A.J. Demuner ◽  
C.R.A. Maltha ◽  
S.A. Fernandes ◽  
...  
Keyword(s):  
Dft Calculations ◽  
Dynamic Nmr ◽  
X Ray ◽  
X Ray Crystallography ◽  
Nmr Study

scholarly journals (2,3-Bis(methylen)bicycIo[2.2.2]octan)zirconocen: Synthese, Struktur und elektrochemische Reduktion/(2,3-Bis(methylene)bicyclo[2.2.2]octane)zirconocene: Synthesis, Structure, and Electrochemical Reduction

1985 ◽  
Vol 40 (2) ◽  
pp. 150-157 ◽  
Author(s):  
Gerhard Erker ◽  
Klaus Engel ◽  
Carl Krüger ◽  
Yi-Hung Tsay ◽  
Edmond Samuel ◽  
...  
Keyword(s):  
Electrochemical Reduction ◽  
Structure Determination ◽  
Radical Anion ◽  
Nmr Spectra ◽  
Activation Barrier ◽  
Intramolecular Rearrangement ◽  
Dynamic Nmr ◽  
Space Group ◽  
X Ray

Photolysis of diphenylzirconocene and 2,3-bis(methylene)bicyclo[2.2.2]octane in toluene at -25 °C yields biphenyl and (2,3-bis(methylene)bicyclo[2.2.2]octane)zirconocene (lg) (67.5% isolated yield).1g exhibits dynamic NMR spectra indicating rapid alternation of diene faces coordinated to zirconium (ring-flip mechanism). This degenerate intramolecular rearrangement is characterized by an extremely low activation barrier (⊿G≠-131°C = 7.1 ± 0.3 kcal/mol). 1g crystallizes in space group P1̄with a = 7.215(1) Å, b = 9.654(1) Å, c = 11.831(1) Å, α = 94.97(1)°, β = 91.81(1)°, and γ = 103.22(1)°. The X-ray structure determination reveals a pronounced metal alkyl character of the (diene)ZrCp2 moiety. Accordingly, 1g is easily reduced electrochemically to give a Zr(III) radical anion (7) observed by esr (g = 1.990; a(H) = 2.976 G; a(Zr) = 18.36 G).

Host-guest inclusion systems of tetra(alkyl)resorcin [4]arenes with choline in DMSO: Dynamic NMR studies and X-ray structural characterization of the 1:1 inclusion complex

2019 ◽  
Vol 1198 ◽  
pp. 126846 ◽  
Author(s):  
Astrid Velásquez-Silva ◽  
Roger Sarmiento Forero ◽  
Edilma Sanabria ◽  
Adrián Pérez-Redondo ◽  
Mauricio Maldonado
Keyword(s):  
Inclusion Complex ◽  
Structural Characterization ◽  
Dynamic Nmr ◽  
Nmr Studies ◽  
X Ray

Conformation and absolute configuration of 2-naphthylalkylsulfoxides by combined use of dynamic NMR, ECD spectroscopy, DFT computations, and X-ray diffraction

Chirality ◽  
2009 ◽  
Vol 21 (1) ◽  
pp. 16-23 ◽  
Author(s):  
Daniele Casarini ◽  
Lodovico Lunazzi ◽  
Michele Mancinelli ◽  
Andrea Mazzanti ◽  
Patrizia Scafato
Keyword(s):  
Absolute Configuration ◽  
Dynamic Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dft Computations ◽  
Combined Use
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