X-ray spectroscopic study of the electronic structure of benzene, monofluoro- and monochlorobenzene

Abstract
The carbon K-emission spectra of solid benzene, monofluoro- and mono-chlorobenzene were measured. These spectra together with photoelectron spectra and additional X-ray spectra enabled detailed information on the composition of molecular orbitals in terms of their atomic components to be obtained. The carbon K spectrum of benzene is interpreted on the basis of molecular orbital (MO) calculations for the free molecule and the intensity distribution is compared with a theoretical line spectrum representation of the X-ray emission.

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