Gas-phase NMR spectroscopy of cyclohexane: environmental effects on conformational isomerism

1983 ◽  
Vol 105 (5) ◽  
pp. 1382-1383 ◽  
Author(s):  
Brian D. Ross ◽  
Nancy S. True
Keyword(s):  
Nmr Spectroscopy ◽  
Gas Phase ◽  
Environmental Effects ◽  
Conformational Isomerism

Conformational Isomerism of 3-Chalcogenomethyl-N-Methyl-2-Pyrrolidinones: Insights from NMR Spectroscopy and Molecular Modeling

2020 ◽  
Vol 124 (41) ◽  
pp. 8509-8518
Author(s):  
Ulisses Zonta de Melo ◽  
Cleverton de Souza Fernandes ◽  
Camila Botin Francisco ◽  
Tânia Cristina Carini ◽  
Gisele de Freitas Gauze ◽  
...  
Keyword(s):  
Molecular Modeling ◽  
Nmr Spectroscopy ◽  
Conformational Isomerism

scholarly journals Alpha‐Carbonic Acid Revisited: Carbonic Acid Monomethyl Ester as a Solid and its Conformational Isomerism in the Gas Phase

2019 ◽  
Vol 26 (1) ◽  
pp. 285-305
Author(s):  
Eva‐Maria Köck ◽  
Jürgen Bernard ◽  
Maren Podewitz ◽  
Dennis F. Dinu ◽  
Roland G. Huber ◽  
...  
Keyword(s):  
Gas Phase ◽  
Carbonic Acid ◽  
Conformational Isomerism ◽  
Monomethyl Ester

scholarly journals Composition Determination of Low-Pressure Gas-Phase Mixtures by 1H NMR Spectroscopy

2019 ◽  
Vol 91 (7) ◽  
pp. 4429-4435 ◽  
Author(s):  
Christopher L. Suiter ◽  
Mark O. McLinden ◽  
Thomas J. Bruno ◽  
Jason A. Widegren
Keyword(s):  
Nmr Spectroscopy ◽  
Gas Phase ◽  
1H Nmr ◽  
1H Nmr Spectroscopy ◽  
Low Pressure ◽  
Composition Determination

Protodeborylation of Triorganoboranes

2008 ◽  
Vol 63 (3) ◽  
pp. 275-279 ◽  
Author(s):  
Bernd Wrackmeyer ◽  
Ezzat Khan ◽  
Rhett Kempe
Keyword(s):  
Molecular Structure ◽  
Acetic Acid ◽  
Nmr Spectroscopy ◽  
Gas Phase ◽  
Appreciable Amount ◽  
Reaction Conditions ◽  
X Ray ◽  
Nmr Parameters ◽  
C Nmr

Protodeborylation of triorganoboranes, usually carried out under mild reaction conditions using an excess of acetic acid, affords 1,5-dialkyl-3,7-dimethyl-4,8,9-trioxa-2,6-dioxonia-1,5-diboratabicyclo [3.3.1]nona-2,6-dienes OB(R)OC(Me)OB(R)OC(Me)O [1 (R = Et), 2 (R = cyclooctyl)]. Acetoxy(dialkyl) boranes and di(acetoxy)alkylboranes were not formed in an appreciable amount. Compounds 1 and 2 were characterized by NMR spectroscopy (1H, 11B, 13C NMR) in solution, the molecular structure of 2 was determined by X-ray analysis. The gas-phase geometry of 1 was optimized by calculations [B3LYP/6-311+G(d, p) level of theory], and its NMR parameters were also calculated at the same level of theory.

NMR Spectroscopy in the Liquid and Gas Phase

ChemInform ◽  
2004 ◽  
Vol 35 (41) ◽  
Author(s):  
B. E. Mann
Keyword(s):  
Nmr Spectroscopy ◽  
Gas Phase

NMR spectroscopy of cyclohexane. Gas-phase conformational kinetics

1983 ◽  
Vol 105 (15) ◽  
pp. 4871-4875 ◽  
Author(s):  
Brian D. Ross ◽  
Nancy S. True
Keyword(s):  
Nmr Spectroscopy ◽  
Gas Phase
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