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Carbon 1s Photoelectron Spectroscopy of Halomethanes. Effects of Electronegativity, Hardness, Charge Distribution, and Relaxation

T. Darrah Thomas,*^† Leif J. Saethre,*^‡ Knut J. Børve,*^‡ John D. Bozek, Marko Huttula,^§ and Edwin Kukk^§

Department of Chemistry, Oregon State University, Corvallis, Oregon 97331-4003, Department of Chemistry, University of Bergen, NO-5007 Bergen, Norway, Advanced Light Source, Lawrence Berkeley Laboratory, University of California, Berkeley, California 94720, and Department of Physical Sciences, University of Oulu, FIN-90014, Oulu, Finland

J. Phys. Chem. A, 2004, 108 (22), pp 4983–4990

DOI: 10.1021/jp049510w

Publication Date (Web): May 5, 2004

To whom correspondence should be addressed. E-mail: darrah.thomas@orst.edu; leif.saethre@kj.uib.no; knut.borve@kj.uib.no.

†

Oregon State University.

‡

University of Bergen.

University of California.

University of Oulu.

Abstract

Carbon 1s ionization energies have been measured for 12 halomethanes. These together with earlier measurements provide 27 compounds for investigating the relationship between core-ionization energies and the electronegativity and hardness of the halogens. The ionization energies correlate nearly linearly with the sum of the electronegativities of the halogens attached to the central carbon. Both electronegativity and hardness play important roles in determining the ionization energy, and it is found that the linear relationship between ionization energy and electronegativity arises from an interplay of the electronegativity and hardness of the halogens and the length and ionicity of the carbon−halogen bond.

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