Structures of lithium salts of substituted 1-phenylpropynes: 13C NMR and MNDO study

• Published in: Journal of organometallic chemistry Vol. 438; no. 3; pp. 265 - 288
• Main Authors: Dem'yanov, Piotr I., Styrkov, Igor M., Krut'ko, Dmitry P., Vener, Michail V., Petrosyan, Valery S.
• Format: Journal Article
• Language: English
• Published: Lausanne Elsevier B.V 01.10.1992; Elsevier Science
• Subjects: Atomic and molecular physics; Exact sciences and technology; Molecular properties and interactions with photons; Nuclear resonance and relaxation; Physics; Chemical solution; Temperature; Acetylenic compound; Aliphatic compound; Theoretical study; Bond order; Carbanion; Experimental study; Lithium Compounds; Chemical shift; MNDO method; NMR spectrum; Atomic charge

13C NMR spectroscopy has been used to study the structure of ambident carbanions in contact (CIP) and solvent-separated (SSIP) ion pairs of lithium salts of substituted 1-phenylpropynes. It was shown that the structures of carbanions in SSIP are close to the propargylic type, whereas, with the decre...