Revisiting Magnesium Chelation by Teichoic Acid with Phosphorus Solid-State NMR and Theoretical Calculations

2009 ◽  
Vol 113 (7) ◽  
pp. 2177-2183 ◽  
Author(s):  
Jason R. Wickham ◽  
Jeffrey L. Halye ◽  
Stepan Kashtanov ◽  
Jana Khandogin ◽  
Charles V. Rice
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Theoretical Calculations ◽  
Teichoic Acid

Characterization of Covalent Linkages in Organically Functionalized MCM-41 Mesoporous Materials by Solid-State NMR and Theoretical Calculations

2007 ◽  
Vol 111 (15) ◽  
pp. 3877-3885 ◽  
Author(s):  
Jerzy W. Wiench ◽  
Yamini S. Avadhut ◽  
Niladri Maity ◽  
Sumit Bhaduri ◽  
Goutam Kumar Lahiri ◽  
...  
Keyword(s):  
Solid State ◽  
Mesoporous Materials ◽  
Solid State Nmr ◽  
Theoretical Calculations ◽  
Mcm 41

Room temperature activation of methane over Zn modified H-ZSM-5 zeolites: Insight from solid-state NMR and theoretical calculations

2012 ◽  
Vol 3 (10) ◽  
pp. 2932 ◽  
Author(s):  
Jun Xu ◽  
Anmin Zheng ◽  
Xiumei Wang ◽  
Guodong Qi ◽  
Jihu Su ◽  
...  
Keyword(s):  
Solid State ◽  
Solid State Nmr ◽  
Room Temperature ◽  
Theoretical Calculations ◽  
Temperature Activation

Study of Intermolecular Interactions in the Corrole Matrix by Solid-State NMR under 100 kHz MAS and Theoretical Calculations

2013 ◽  
Vol 52 (52) ◽  
pp. 14108-14111 ◽  
Author(s):  
Takeshi Kobayashi ◽  
Kanmi Mao ◽  
Piotr Paluch ◽  
Agnieszka Nowak-Król ◽  
Justyna Sniechowska ◽  
...  
Keyword(s):  
Solid State ◽  
Intermolecular Interactions ◽  
Solid State Nmr ◽  
Theoretical Calculations

Study of Intermolecular Interactions in the Corrole Matrix by Solid-State NMR under 100 kHz MAS and Theoretical Calculations

2013 ◽  
Vol 125 (52) ◽  
pp. 14358-14361 ◽  
Author(s):  
Takeshi Kobayashi ◽  
Kanmi Mao ◽  
Piotr Paluch ◽  
Agnieszka Nowak-Król ◽  
Justyna Sniechowska ◽  
...  
Keyword(s):  
Solid State ◽  
Intermolecular Interactions ◽  
Solid State Nmr ◽  
Theoretical Calculations

Conformations of Silica-Bound (Pentafluorophenyl)propyl Groups Determined by Solid-State NMR Spectroscopy and Theoretical Calculations

2010 ◽  
Vol 132 (35) ◽  
pp. 12452-12457 ◽  
Author(s):  
Kanmi Mao ◽  
Takeshi Kobayashi ◽  
Jerzy W. Wiench ◽  
Hung-Ting Chen ◽  
Chih-Hsiang Tsai ◽  
...  
Keyword(s):  
Solid State ◽  
Nmr Spectroscopy ◽  
Solid State Nmr ◽  
Theoretical Calculations ◽  
Solid State Nmr Spectroscopy

A tris(pyrazol-1-yl)methane bearing carboxylic acid groups at position 4: {1-[bis(4-carboxy-3,5-dimethyl-1H-pyrazol-1-yl)methyl]-3,5-dimethyl-1H-pyrazole-4-carboxylato}sodium dihydrate

2013 ◽  
Vol 69 (9) ◽  
pp. 972-976 ◽  
Author(s):  
Ibon Alkorta ◽  
José Elguero ◽  
María Ángeles García ◽  
Concepción López ◽  
Rosa M. Claramunt ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Solid State ◽  
Carboxylic Acid ◽  
Solid State Nmr ◽  
Theoretical Calculations ◽  
Low Resolution ◽  
X Ray ◽  
Carboxylic Acid Groups ◽  
Hydrated Salt ◽  
C Nmr

A low-resolution X-ray molecular structure of the title hydrated salt, [Na(C19H21N6O6)]·2H2O, displays scorpionate character and resolves apparent ambiguities between solution and solid-state NMR spectroscopies. The13C NMR CPMAS spectrum is consistent with this structure showing some splittings, which have been rationalized using GIAO/B3LYP/6-311++G(d,p) theoretical calculations.

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