Correlation of Gas-Phase Stability of Bridgehead Carbocations with Rates of Solvolysis and ab Initio Calculations

Autor:	Ernest W. Della, Paul Müller, M. Herreros, Jean-Claude Rossier, Obis Castaño, Rafael Notario, José-Luis M. Abboud
Rok vydání:	1997
Předmět:	Hydride Chemistry General Chemistry Carbocation Biochemistry Catalysis Fourier transform ion cyclotron resonance Ion Colloid and Surface Chemistry Computational chemistry Ab initio quantum chemistry methods Reactivity (chemistry) Solvolysis Spectroscopy
Zdroj:	Journal of the American Chemical Society. 119:2262-2266
ISSN:	1520-5126 0002-7863
DOI:	10.1021/ja962319i
Popis:	The stability of bridgehead carbocations has been determined by Fourier transform ion cyclotron resonance spectroscopy (FT ICR) based on dissociative proton attachment (DPA) of bromides and alcohols. The stability of the ions correlates with the solvolytic reactivity of bridgehead derivatives over a rate range of 23 log units, and with theoretical calculations for hydride transfer of bridgehead hydrocarbons at the MP2/6-311G** level.
Databáze:	OpenAIRE
Externí odkaz:	https://explore.openaire.eu/search/publication?articleId=doi_________::39d5975f7a2ec68e8f0af99c7af1f33b https://doi.org/10.1021/ja962319i Zobrazit plný text záznamu