Investigation of Halogenated Pyrimidines by X-ray Photoemission Spectroscopy and Theoretical DFT Methods

Bolognesi, P.; Mattioli, Giuseppe; O’Keeffe, Patrick; Feyer, Vitaliy; Plekan, Oksana; Ovcharenko, Yevheniy; C. Prince, Kevin; Coreno, Marcello; Amore Bonapasta, A.; Avaldi, L.

doi:10.1021/jp908512v

Public

Investigation of Halogenated Pyrimidines by X-ray Photoemission Spectroscopy and Theoretical DFT Methods

Published in The Journal of Physical Chemistry A • Nov 11, 2009

Authors:

P. Bolognesi

Giuseppe Mattioli

Patrick O’Keeffe

Abstract

The inner shell ionization of pyrimidine and some halogenated pyrimidines has been investigated experimentally by X-ray photoemission spectroscopy (XPS) and theoretically by density functional theory (DFT) methods. The selected targets-5-Br-pyrimidine, 2-Br-pyrimidine, 2-Cl-pyrimidine, and 5-Br-2-Cl...

Subject

Pyrimidine

Halogen

Chemistry

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