Solid-State 1H NMR Study of Structures and Dynamics of Proton Sites in Group II Salts of 12-Tungstophosphoric Acid and Related Compounds

2018 ◽  
Vol 122 (27) ◽  
pp. 15539-15557
Author(s):  
Steven F. Dec ◽  
Andrew M. Herring
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Tungstophosphoric Acid ◽  
Nmr Study ◽  
Group Ii ◽  
Related Compounds

A Solid State 1H NMR Study of Motion in Polythiophenes

1992 ◽  
pp. 369-372
Author(s):  
A. C. Kolbert ◽  
N. S. Sariciftci ◽  
K.-U. Gaudl ◽  
P. Bäuerle ◽  
M. Mehring
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Nmr Study

Solid state 1H NMR study, humidity sensitivity and protonic conduction of gel derived phosphosilicate glasses

2002 ◽  
Vol 12 (12) ◽  
pp. 3746-3753 ◽  
Author(s):  
N. J. Clayden ◽  
S. Esposito ◽  
P. Pernice ◽  
A. Aronne
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Protonic Conduction ◽  
Nmr Study ◽  
Humidity Sensitivity

A solid-state 1H-NMR study of the dynamic structure of ZIF-8 and its role in the adsorption of bulky molecules

Adsorption ◽  
2017 ◽  
Vol 23 (6) ◽  
pp. 887-901 ◽  
Author(s):  
Takahiro Ueda ◽  
Masako Nakai ◽  
Tatsuya Yamatani
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Dynamic Structure ◽  
Nmr Study

Solid state 1H-NMR study of β-cyclodextrin-water complexes

1986 ◽  
Vol 6 (2) ◽  
pp. 85-93 ◽  
Author(s):  
I FURO ◽  
I POCSIK ◽  
K TOMPA ◽  
A STADLERSZOKE ◽  
J SZEJTLI
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Nmr Study

The First Aluminophosphonate Cluster Analogue of the 4=1 SBU of Zeolites: Structure and Multinuclear Solid-State NMR Study, Including 1H NMR

2002 ◽  
Vol 2002 (11) ◽  
pp. 2838-2843 ◽  
Author(s):  
Thierry Azaïs ◽  
Laure Bonhomme-Coury ◽  
Jacqueline Vaissermann ◽  
Jocelyne Maquet ◽  
Christian Bonhomme
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Solid State Nmr ◽  
Nmr Study

Oxygen adsorption on poly(2,6-dimethyl)phenyleneoxide: a solid state 1H-NMR study

1993 ◽  
Vol 29 (11) ◽  
pp. 1451-1456 ◽  
Author(s):  
D. Capitani ◽  
M. Clericuzio ◽  
P. Fiordiponti ◽  
F. Lillo ◽  
A.L. Segre
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Oxygen Adsorption ◽  
Nmr Study

Interface in styrene-butadiene copolymers and blends: a solid state 1h-nmr study

1992 ◽  
Vol 28 (10) ◽  
pp. 1165-1172 ◽  
Author(s):  
A.L. Segre ◽  
D. Capitani ◽  
P. Fiordiponti ◽  
P.L. Cantini ◽  
A. Callaioli ◽  
...  
Keyword(s):  
Solid State ◽  
1H Nmr ◽  
Nmr Study ◽  
Styrene Butadiene

Conformational Aspects of the p-Nitrosophenolate Anion and Related Compounds: NMR Study and ab initio 6-31G Optimizations of Molecular Structures

1997 ◽  
Vol 52 (2) ◽  
pp. 263-280 ◽  
Author(s):  
Klaus Albert ◽  
Günter Häfelinger ◽  
Piotr Milart ◽  
Tadeusz Marek Krygowski ◽  
Till Kühn ◽  
...  
Keyword(s):  
Solid State ◽  
Ab Initio ◽  
Chemical Shifts ◽  
Molecular Structures ◽  
Nmr Study ◽  
Effects Of Rotation ◽  
Cp Mas Nmr ◽  
Related Compounds ◽  
Nmr Signals ◽  
C Nmr

Abstract The p-nitrosophenolate anion, PNPA (3), represents an excellent example of variable π-electron transfer demanded by a network of different hydrogen bonds. The limiting structures of mono-protonation in the solid state and in solution are either the p-nitrosophenol (1) or the p-quinonoxime (2) molecules. For the systems 1 to 3 and the related compounds 4 to 7 are results of ab initio 6-31G HF MO optimizations of molecular structures presented which are calculated additionally in variously rotated conformations. Solid state 13C-CP/MAS NMR spectra of two PNPA salts 8 and 9 have been recorded at 7.0 Tesla. The protonation of 8 and 9 was studied in solution using a 400 MHz NMR spectrometer recording the variations in 1H and 13C NMR chemical shifts on changing the solvent from DMSO-d6 to D2O in steps of 25%. The 2D 1H-13C correlated spectrum leads to unambigous assignment of NMR signals. From the coalescence temperature of 1H signals of 9 the experimental barrier of rotation in D2O was determined as 16.9 ± 0.1 kcal mol-1. The calculated gas phase rotational barrier for free PNPA is with 26.9 kcal mol-1 much higher, but is lowered by calculations for the Li-salt 6 c to 14.5 kcal mol-1 and to 11.8 kcal mol-1 for the protonated PNP If. The in-plane inversion of PNPA through 3c is calculated to be extremely high with 52.4 kcal mol-1. The effects of rotation of substituents to orthogonal conformations on calculated energies and on intramolecular distances were studied thoroughly.

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