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

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

Synthesis, Properties and Dimerization Study of Isocyanic Acid

2002 ◽  
Vol 57 (1) ◽  
pp. 19-24 ◽  
Author(s):  
Gerd Fischer ◽  
Janna Geith ◽  
Thomas M. Klapötke ◽  
Burkhard Krumm
Keyword(s):  
Mass Spectrometry ◽  
Thermal Stability ◽  
Solid State ◽  
Nmr Spectroscopy ◽  
Oxalic Acid ◽  
Gas Phase ◽  
Isocyanic Acid ◽  
Synthesis Properties ◽  
Phase Liquid ◽  
Thermal Stability Of

Isocyanic acid was prepared in pure form by reaction of KOCN or NaOCN with stearic or oxalic acid in good yield. Identification, characterization and investigation of the thermal stability of HNCO and evidence for a possible existence of “dicyanic acid” have been studied in gas phase, liquid and solid state by vibrational and NMR spectroscopy and mass spectrometry.

scholarly journals Silacyclohexanes, Sila(hetero)cyclohexanes and Related Compounds: Structure and Conformational Analysis

Molecules ◽  
2020 ◽  
Vol 25 (7) ◽  
pp. 1624 ◽  
Author(s):  
Bagrat A. Shainyan
Keyword(s):  
Nmr Spectroscopy ◽  
Electron Diffraction ◽  
Low Temperature ◽  
Conformational Analysis ◽  
Gas Phase ◽  
Theoretical Calculations ◽  
Gas Electron Diffraction ◽  
Experimental Measurements ◽  
Related Compounds

Conformational analysis of Si-mono- and Si,Si-disubstituted silacyclohexanes as well as their analogues with a heteroatom(s) in the ring is reviewed with the focus on the recent results. Experimental measurements in the gas phase (gas electron diffraction, GED) and low temperature NMR spectroscopy (LT NMR) on 1H, 13C and 29Si nuclei are described along with theoretical calculations at the DFT and MP2 levels of theory. Structural and conformational specific features are shown to be principally different from those of the carbon predecessors—the corresponding cyclohexanes, oxanes, thianes and piperidines. The role of various effects (steric, hyperconjugation, stereoelectronic, electrostatic) is demonstrated.

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