The accordion experiment, a simple approach to three-dimensional NMR spectroscopy

1981 ◽  
Vol 45 (2) ◽  
pp. 367-373 ◽  
Author(s):  
Geoffrey Bodenhausen ◽  
R.R Ernst
Keyword(s):  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Simple Approach

scholarly journals 2P-022 Investigating protein three-dimensional structures inside living cells by in-cell NMR spectroscopy(The 46th Annual Meeting of the Biophysical Society of Japan)

2008 ◽  
Vol 48 (supplement) ◽  
pp. S78
Author(s):  
Junpei Hamatsu ◽  
Daisuke Sakakibara ◽  
Atsuko Sasaki ◽  
Teppei Ikeya ◽  
Masaki Mishima ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Annual Meeting ◽  
Three Dimensional ◽  
Living Cells ◽  
Biophysical Society

Characterization of New Inorganic- Organic Hybrid Compounds: (C6H10N2).Cl2 (I), [C6H10N2]2ZnCl4 (II): Crystal Structure, Hirschfield Surface, IR and NMR spectroscopy Analysis.

2021 ◽  
Author(s):  
nejeh hannachi ◽  
faouzi hlel
Keyword(s):  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
X Ray Diffraction ◽  
Spectroscopy Analysis ◽  
Absorption Bands ◽  
Monoclinic System ◽  
Xrd Pattern ◽  
Organic Hybrid ◽  
C Nmr

Abstract Two new organic-inorganic hybrid materials, (C6H10N2).Cl2 (I) and [C6H10N2]2ZnCl4 (II), have been synthesized by hydrothermal method and characterized by single-crystal X-ray diffraction and XRD pattern investigations. These two compounds are crystallized in the monoclinic system; C2/c space group. In the both structures, the anionic-cationic entities are interconnected by hydrogen bonding contacts and p-p Interaction forming three-dimensional networks. Intermolecular interactions were investigated by Hirshfeld surfaces and the contacts of the four different chloride atoms in (II) were compared. The vibrational absorption bands were identified by infrared spectroscopy. These compounds were also investigated by solid state 13C NMR spectroscopy.

A Simple Approach to the Study of Wave Patterns

2014 ◽  
Vol 156 (A3) ◽  
Keyword(s):  
Numerical Methods ◽  
Shallow Water ◽  
Froude Number ◽  
Critical Speed ◽  
Graphical Method ◽  
Three Dimensional ◽  
Simple Approach ◽  
Critical Depth ◽  
Simple Manner ◽  
Wave Patterns

The paper revisits some pioneering work of Sir Thomas Havelock on wave patterns with particular attention focused on his graphical method of analysis. Motivated by a desire to explore this method further using numerical methods, it is extended in a simple manner to give three-dimensional illustrations of the wave patterns of a point disturbance in deep and shallow water. All results are confined to the sub- and trans-critical regimes with some obtained very close to the critical Depth Froude Number. Some conclusions are drawn on the wave types produced when operating close to the critical speed and their decay with distance off.

Homonuclear three-dimensional proton NMR spectroscopy of pike parvalbumin. Comparison of short- and medium-range NOEs from 2D and 3D NMR

1990 ◽  
Vol 112 (13) ◽  
pp. 5024-5030 ◽  
Author(s):  
Andre Padilla ◽  
Geerten W. Vuister ◽  
Rolf Boelens ◽  
Gerard J. Kleywegt ◽  
Adrien Cave ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Proton Nmr ◽  
3D Nmr ◽  
Proton Nmr Spectroscopy ◽  
Medium Range ◽  
2D And 3D

scholarly journals Three-Dimensional Supramolecular Network Directed by Intermolecular Interactions in [Pb2(dmp)2(hfacac)4]

2009 ◽  
Vol 6 (4) ◽  
pp. 1085-1090
Author(s):  
Farzin Marandi ◽  
Lotfali Saghatforoush ◽  
Hossein Farzaneh
Keyword(s):  
Crystal Structure ◽  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Supramolecular Network ◽  
Stacking Interactions ◽  
H Nmr ◽  
Noncovalent Bond ◽  
Donor And Acceptor ◽  
Anionic Ligands ◽  
C Nmr

To investigate the interactions between noncovalent bond donor and acceptor giving rise to three dimensional networks, compound [Pb2(dmp)2(hfacac)2] (1) (dmp = 2,9-dimethyl-1,10-henanthroline and Hhfacac = hexafluoroacetylacetonate) has been prepared and characterized by elemental analysis, IR,1H NMR, and13C NMR spectroscopy and its crystal structures was investigated. The single crystal structure show the coordination number of Pb(II) to be eight with twoN-donor atoms from a “dmp” ligand and sixO-donors from the anionic ligands. The supramolecular structure of 1 is realized by weak directional C–H∙∙∙O–C, C–F∙∙∙F–C andπ–πstacking interactions.

scholarly journals Backbone assignments and secondary structure of theEscherichia colienzyme-II mannitol a domain determined by heteronuclear three-dimensional NMR spectroscopy

1993 ◽  
Vol 2 (8) ◽  
pp. 1331-1341 ◽  
Author(s):  
Gerard J. A. Kroon ◽  
Klaas Dijkstra ◽  
Ruud M. Scheek ◽  
George T. Robillard ◽  
Joachim Grötzinger
Keyword(s):  
Nmr Spectroscopy ◽  
Secondary Structure ◽  
Three Dimensional ◽  
Backbone Assignments

Three-Dimensional NMR Spectroscopy of Fluorinated Pharmaceutical Solids under Ultrafast Magic Angle Spinning

2019 ◽  
Vol 91 (9) ◽  
pp. 6217-6224 ◽  
Author(s):  
Xingyu Lu ◽  
Daniel Skomski ◽  
Karen C. Thompson ◽  
Michael J. McNevin ◽  
Wei Xu ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Three Dimensional ◽  
Magic Angle Spinning ◽  
Magic Angle ◽  
Pharmaceutical Solids ◽  
Angle Spinning

Structure determination of a partially ordered layered silicate material with an NMR crystallography approach

2017 ◽  
Vol 73 (3) ◽  
pp. 184-190 ◽  
Author(s):  
Darren Henry Brouwer ◽  
Sylvian Cadars ◽  
Kathryn Hotke ◽  
Jared Van Huizen ◽  
Nicholas Van Huizen
Keyword(s):  
Nmr Spectroscopy ◽  
Structure Determination ◽  
Three Dimensional ◽  
Layered Silicate ◽  
Silicate Layer ◽  
Silicate Material ◽  
X Ray Diffraction ◽  
X Ray ◽  
Nmr Crystallography

Structure determination of layered materials can present challenges for conventional diffraction methods due to the fact that such materials often lack full three-dimensional periodicity since adjacent layers may not stack in an orderly and regular fashion. In such cases, NMR crystallography strategies involving a combination of solid-state NMR spectroscopy, powder X-ray diffraction, and computational chemistry methods can often reveal structural details that cannot be acquired from diffraction alone. We present here the structure determination of a surfactant-templated layered silicate material that lacks full three-dimensional crystallinity using such an NMR crystallography approach. Through a combination of powder X-ray diffraction and advanced 29Si solid-state NMR spectroscopy, it is revealed that the structure of the silicate layer of this layered silicate material templated with cetyltrimethylammonium surfactant cations is isostructural with the silicate layer of a previously reported material referred to as ilerite, octosilicate, or RUB-18. High-field 1H NMR spectroscopy reveals differences between the materials in terms of the ordering of silanol groups on the surfaces of the layers, as well as the contents of the inter-layer space.

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