Study of some medium size alcohols and hydroperoxides by photoelectron spectroscopy

Abstract

This paper reports the photoelectron (PE) spectra of the normal pentanols, hexanols and heptanols and of eight related n-alkyl hydroperoxides. The spectra are interpreted in terms of the interactions of alkyl groups with hydroxyl and hydroperoxyl substituent groups, using INDO calculations to elucidate certain details. Possible uses of PE spectroscopy in distinguishing isomers from each other are discussed.

A PE spectrum of hydrogen peroxide was recorded in the course of this work, to help the assignment of the PE spectra of the hydroperoxides. It is essentially similar to one published by Osafune and Kimura but some vibrational structure is resolved and certain i.p.'s are assigned rather different values. This PE spectrum is discussed in relation to molecular orbital calculations and compared with mass spectrometric results.