A Solid-State NMR, X-ray Diffraction, and ab Initio Computational Study of Hydrogen-Bond Structure and Dynamics of Pyrazole-4-Carboxylic Acid Chains

2001 ◽  
Vol 123 (32) ◽  
pp. 7898-7906 ◽  
Author(s):  
Concepción Foces-Foces ◽  
Aurea Echevarría ◽  
Nadine Jagerovic ◽  
Ibon Alkorta ◽  
José Elguero ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Carboxylic Acid ◽  
Ab Initio ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics

Solid-State NMR and X-ray Diffraction Study of Structure and Dynamics of Dihydrate and Anhydrous Form of Tyr-Ala-Phe

2009 ◽  
Vol 9 (9) ◽  
pp. 4051-4059 ◽  
Author(s):  
Katarzyna Trzeciak-Karlikowska ◽  
Anna Bujacz ◽  
Agata Jeziorna ◽  
Włodzimierz Ciesielski ◽  
Grzegorz D. Bujacz ◽  
...  
Keyword(s):  
Solid State ◽  
Diffraction Study ◽  
Solid State Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics

ChemInform Abstract: A Solid-State NMR, X-Ray Diffraction, and ab initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters.

ChemInform ◽  
2008 ◽  
Vol 39 (26) ◽  
Author(s):  
Todd M. Alam ◽  
Jacalyn S. Clawson ◽  
Francois Bonhomme ◽  
Steven G. Thoma ◽  
Mark A. Rodriguez ◽  
...  
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Solid State Nmr ◽  
X Ray Diffraction ◽  
X Ray

A Solid-State NMR, X-ray Diffraction, and Ab Initio Investigation into the Structures of Novel Tantalum Oxyfluoride Clusters

2008 ◽  
Vol 20 (6) ◽  
pp. 2205-2217 ◽  
Author(s):  
Todd M. Alam ◽  
Jacalyn S. Clawson ◽  
François Bonhomme ◽  
Steven G. Thoma ◽  
Mark A. Rodriguez ◽  
...  
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Solid State Nmr ◽  
X Ray Diffraction ◽  
X Ray

Coordination polymers of paramagnetic bis(leucinato)copper(ii) diastereomers: experimental and computational study of the stereoisomerism and conformations

CrystEngComm ◽  
2020 ◽  
Vol 22 (34) ◽  
pp. 5587-5600
Author(s):  
Darko Vušak ◽  
Jelena Pejić ◽  
Mia Jurković ◽  
Gábor Szalontai ◽  
Jasmina Sabolović
Keyword(s):  
Molecular Modeling ◽  
Solid State ◽  
Coordination Polymers ◽  
Solid State Nmr ◽  
Computational Study ◽  
X Ray Diffraction ◽  
X Ray

The syntheses, X-ray diffraction, solid state NMR and molecular modeling determined (dis)similarities between the coordination polymers of two bis(leucinato)copper(ii) diastereomers.

Unraveling the Hydrogen Bond Network in a Theophylline–Pyridoxine Salt Cocrystal by a Combined X-ray Diffraction, Solid-State NMR, and Computational Approach

2018 ◽  
Vol 18 (4) ◽  
pp. 2225-2233 ◽  
Author(s):  
Federica Rossi ◽  
Paolo Cerreia Vioglio ◽  
Simone Bordignon ◽  
Valeria Giorgio ◽  
Carlo Nervi ◽  
...  
Keyword(s):  
Hydrogen Bond ◽  
Solid State ◽  
Solid State Nmr ◽  
Computational Approach ◽  
Hydrogen Bond Network ◽  
X Ray Diffraction ◽  
X Ray ◽  
Bond Network

Solid–Solid Transition between Hydrated Racemic Compound and Anhydrous Conglomerate in Na-Ibuprofen: A Combined X-ray Diffraction, Solid-State NMR, Calorimetric, and Computational Study

2014 ◽  
Vol 14 (5) ◽  
pp. 2441-2452 ◽  
Author(s):  
Patrizia Rossi ◽  
Eleonora Macedi ◽  
Paola Paoli ◽  
Luca Bernazzani ◽  
Elisa Carignani ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Computational Study ◽  
Racemic Compound ◽  
X Ray Diffraction ◽  
X Ray

Structure and dynamics of condensed multivalent ions within polyelectrolyte bundles: a combined x-ray diffraction and solid-state NMR study

2005 ◽  
Vol 17 (14) ◽  
pp. S1123-S1135 ◽  
Author(s):  
Thomas E Angelini ◽  
Lori K Sanders ◽  
Hongjun Liang ◽  
Willy Wriggers ◽  
Jay X Tang ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
X Ray Diffraction ◽  
X Ray ◽  
Structure And Dynamics ◽  
Multivalent Ions ◽  
Nmr Study

scholarly journals Interplay between Structure and Dynamics in Chitosan Films Investigated with Solid-State NMR, Dynamic Mechanical Analysis, and X-ray Diffraction

2011 ◽  
Vol 12 (4) ◽  
pp. 1380-1386 ◽  
Author(s):  
Carmiña Gartner ◽  
Betty Lucy López ◽  
Ligia Sierra ◽  
Robert Graf ◽  
Hans W. Spiess ◽  
...  
Keyword(s):  
Solid State ◽  
Dynamic Mechanical Analysis ◽  
Solid State Nmr ◽  
Mechanical Analysis ◽  
X Ray Diffraction ◽  
X Ray ◽  
Dynamic Mechanical ◽  
Structure And Dynamics ◽  
Chitosan Films

A MOF based on a lead(II) 2-oxido-6-methylpyridine-4-carboxylate network

2020 ◽  
Vol 75 (4) ◽  
pp. 365-369
Author(s):  
Long Tang ◽  
Yu Pei Fu ◽  
Na Cui ◽  
Ji Jiang Wang ◽  
Xiang Yang Hou ◽  
...  
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Carboxylic Acid ◽  
Thermogravimetric Analysis ◽  
Metal Organic Framework ◽  
X Ray Diffraction ◽  
X Ray ◽  
Connected Node ◽  
Metal Organic ◽  
Solid State Fluorescence

AbstractA new metal-organic framework, [Pb(hmpcaH)2]n (1), has been hydrothermally synthesized from Pb(OAc)2 · 3H2O and 2-hydroxy-6-methylpyridine-4-carboxylic acid (hmpcaH2; 2), and characterized by IR spectroscopy, elemental and thermogravimetric analysis, and single-crystal X-ray diffraction. In complex 1, each hmpcaH− ligand represents a three-connected node to combine with the hexacoordinated Pb(II) ions, generating a 3D binodal (3,6)-connected ant network. The crystal structure of 2 was determined. The solid-state fluorescence properties of 1 and 2 were investigated.

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