Confirmation of the H-bridged structure of the 2-butyl cation by comparison of experimental and ab initio IR frequencies

Autor: Paul von Ragué Schleyer, Peter Buzek, J. W. De M. Carneiro, Stefan Sieber, Wolfram Koch, Hrvoj Vančik, Dionis E. Sunko
Rok vydání: 1991
Předmět:
Zdroj: J. Chem. Soc., Chem. Commun.. :671-674
ISSN: 0022-4936
DOI: 10.1039/c39910000671
Popis: The IR spectrum of the 2-butyl cation, measured at –125 °C in an SbF5 matrix and calculated ab initio(MP2(FULL)/6-31G*), is characterized by a C(H [graphic omitted] ) C peak at 2175 cm–1 assigned to the nonclassical H-bridged (C2-symmetry) structure 1.
Databáze: OpenAIRE