ISSN:
0009-2940
Schlagwort(e):
2-Azapentadienyllithium compounds
;
Structure in solution
;
Calculations, ab initio, MNDO
;
Chemistry
;
Inorganic Chemistry
Quelle:
Wiley InterScience Backfile Collection 1832-2000
Thema:
Chemie und Pharmazie
Notizen:
On the Structures of 2-Azapentadienyllithium Compounds2-Azapentadienyllithium compounds 3 - 10 are easily accessible by deprotonation of N-allylimines 1,2 with lithium diisopropylamide. Their structures in THF solution at various temperatures are studied by means of 1H- and 13C-NMR spectroscopy. 1-Phenyl-substituted 2-aza-pentadienyllithium derivatives adopt all-trans W conformations, whereas 1-alkylsubstituted 2-azapentadienyllithium compounds show s-cis conformations (sickle shapes). 13C shifts of the 2-azapentadienyl carbon atoms are discussed in terms of HOMO coefficients. The experimental structural results are compared with theoretical data obtained by MNDO and ab initio calculations for the corresponding anions. MNDO results are also given for monomeric 2-azapentadienyllithium conformers 13,14.
Zusätzliches Material:
3 Ill.
Materialart:
Digitale Medien
URL:
http://dx.doi.org/10.1002/cber.19911240333
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