Stable carbonium ions. LXXXVII. Proton magnetic resonance spectrum of the nonclassical norbornyl cation and its identity with corner-protonated nortricyclene, a stable protonated cyclopropane containing a pentacoordinated carbon atom

1969 ◽  
Vol 91 (14) ◽  
pp. 3956-3958 ◽  
Author(s):  
George A. Olah ◽  
Anthony Michael White
Keyword(s):  
Magnetic Resonance ◽  
Carbon Atom ◽  
Proton Magnetic Resonance ◽  
Resonance Spectrum ◽  
Proton Magnetic Resonance Spectrum ◽  
Carbonium Ions

The Variable Electronegativity Method. VI. Azulene

1960 ◽  
Vol 13 (1) ◽  
pp. 38 ◽  
Author(s):  
RD Brown ◽  
ML Heffernan
Keyword(s):  
Experimental Data ◽  
Magnetic Resonance ◽  
Carbon Atom ◽  
Electron Density ◽  
Proton Magnetic Resonance ◽  
Resonance Spectrum ◽  
Dipole Moments ◽  
Proton Magnetic Resonance Spectrum ◽  
Bond Orders ◽  
Electron Distributions

Results of a variable-electronegativity SCF treatment of azulene, using the method used in previous VESCF studies, are reported. A slightly more elaborate method in which non-neighbour core resonance integrals are included has also been used. The π-electron distributions obtained by these methods correspond to dipole moments of 1.85 and 1.33 D respectively, the experimental value being about 1 D. The calculated bond orders accord with the rather incomplete experimental data on bond lengths. The π-electron densities account for the relative chemical reactivities of the azulene positions. The ionization potentials and proton magnetic resonance spectrum of azulene are also briefly considered. The concept of electronegativities of conjugated atoms in non-alternant systems is discussed in some detail on the basis of the VESCF results. It is shown that the assumption that the electronegativity of a carbon atom depends only on its π-electron density is an oversimplification for non-alternant systems.

Proton magnetic resonance spectrum and nuclear overhauser effects of N-methylmethylenimine

1967 ◽  
Vol 22 (1-4) ◽  
pp. 112-117 ◽  
Author(s):  
Chen Fee Chang ◽  
Billy J. Fairless ◽  
M.R. Willcott ◽  
R.F. Curl ◽  
Jurgen Hinze ◽  
...  
Keyword(s):  
Magnetic Resonance ◽  
Proton Magnetic Resonance ◽  
Resonance Spectrum ◽  
Proton Magnetic Resonance Spectrum ◽  
Nuclear Overhauser ◽  
Nuclear Overhauser Effects
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