Quarterly Journal of the Chemical Society of London, Issue 1, Pages 1-844 |
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Page 36
... orbital components and so are non - bonding between B and F. Qualitative arguments suggest that 3e ' is also nonbonding but the CNDO / 2 calculations show that although these three orbital sets are the highest in energy , within a range ...
... orbital components and so are non - bonding between B and F. Qualitative arguments suggest that 3e ' is also nonbonding but the CNDO / 2 calculations show that although these three orbital sets are the highest in energy , within a range ...
Page 317
... orbital X orbital population 0.08 1s 3s PH , 3p 3d 3s PMe ,, PF , * MAN MANANKAN 0.59 1s 0.11 1s 2s 2s 3p 2s 3d 3p 20 п 3d 2Pπ -0.03 ( −0 · 06 ) 0.18 ( 0.04 ) 0.02 ( 0.05 ) -0.02 ( 0.07 ) 0.01 ( 0.19 ) 3s 2po 0.08 ( -0.01 ) 3p 200 0.40 ...
... orbital X orbital population 0.08 1s 3s PH , 3p 3d 3s PMe ,, PF , * MAN MANANKAN 0.59 1s 0.11 1s 2s 2s 3p 2s 3d 3p 20 п 3d 2Pπ -0.03 ( −0 · 06 ) 0.18 ( 0.04 ) 0.02 ( 0.05 ) -0.02 ( 0.07 ) 0.01 ( 0.19 ) 3s 2po 0.08 ( -0.01 ) 3p 200 0.40 ...
Page 319
... orbitals ;. Summary Ab initio molecular orbital calculations using a Gaussian basis set , of the electronic structure of thiophen indicate that 3d - orbitals play a minor role in the bonding in this molecule . treat- THE role of sulphur ...
... orbitals ;. Summary Ab initio molecular orbital calculations using a Gaussian basis set , of the electronic structure of thiophen indicate that 3d - orbitals play a minor role in the bonding in this molecule . treat- THE role of sulphur ...
Contents
The Wittig Rearrangement of Some Allyl Ethers by V RAUTENSTRAUCH | 4 |
The Mechanism of the Thermal Rearrangement of 1Substituted 1HAzepines to 6Aminofulvenes | 10 |
A Twoelectron Hydrogen Bridge Bond in Crystalline Trimethylaluminium Dimer by SUSAN K BYRAM | 16 |
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Common terms and phrases
absorption acetic acetonitrile acid Acta adduct alcohol alkaloids alkyl Amax Amer aqueous aromatic assigned atoms band benzene bond lengths bromide calculated carbanion carbon carbonyl chelate Chem Chemical Society Chim chloride cm-¹ co-ordinated Comm complex compounds configuration corresponding crystal structure cyclic Department of Chemistry derivatives dimer electron energy enol ester ether Figure formation formed gave hydrogen hydrolysis i.r. spectra ibid indicated Inorg intermediate irradiation isolated isomeric isomers ketone ligand mass spectrum metal methanol methylene mixture molecular molecule n.m.r. spectrum nitrogen observed obtained orbital oxidation oxygen peaks phenyl photolysis Phys planar presence protons pyridine radical ratio reaction reagent rearrangement Received reduction reported resonance ring room temperature salt shown singlet sodium solution solvent space group spectroscopic stereochemistry suggested sulphur Summary synthesis Tetrahedron Letters tetrahydrofuran tion University Vmax X-ray yield