## Abstract The ^13^C and ^14^N NMR spectra of a variety of highly nitrated aliphatic, aromatic and heterocyclic compounds were obtained. The proton decoupled ^13^C peaks of the nitro‐substituted carbons in most of these compounds were split into the multiplets expected for coupling with spin 1 nuc
An experimental and theoretical study of 1J(13C–14N) coupling constants in nitro-aromatic and nitro-heteroaromatic compounds
✍ Scribed by Guy Jacob; Grégoire Hervé; Ibon Alkorta; José Elguero
- Publisher
- Elsevier Science
- Year
- 2010
- Tongue
- English
- Weight
- 616 KB
- Volume
- 979
- Category
- Article
- ISSN
- 0022-2860
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A series of 23 bridgehead-substituted bicyclo[l.l.l]pentanes were synthesized and the 3J(Cl-H) coupling constants determined from their proton-coupled I3C NMR spectra. It was found that the values of the couplings are strongly dependent upon the type of substituent present, with powerful effects exe
## Abstract ^13^C chemical shieldings and ^14^N and ^2^H electric field gradient (EFG) tensors of L‐alanylglycine (L‐alagly) dipeptide were calculated at RHF/6–31 + + G\*\* and B3LYP/6–31 + + G\*\* levels of theory respectively. For these calculations a crystal structure of this dipeptide obtained
Ab initio calculations using the equations of motion approach are reported for 'J( 13C"C) of the bridgehead bond in [ 1.1.1 I-, 12.1.1 I-, [2.2.1 I-, [2.2.2]-, [3.2.1 ]-propellane, bicyclobutane, bicyclopentane, bicyclohexane and tetracyclopentane. The results give an overall picture of the influenc
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