The ionization energy of C2

O Krechkivska; G B Bacskay; B A Welsh; K Nauta; S H Kable; J F Stanton; T W Schmidt

doi:10.1063/1.4944932

The ionization energy of C2

J Chem Phys. 2016 Apr 14;144(14):144305. doi: 10.1063/1.4944932.

Authors

O Krechkivska¹, G B Bacskay², B A Welsh¹, K Nauta¹, S H Kable¹, J F Stanton³, T W Schmidt¹

Affiliations

¹ School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia.
² School of Chemistry, The University of Sydney, Sydney, New South Wales 2006, Australia.
³ Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, USA.

PMID: 27083719
DOI: 10.1063/1.4944932

Abstract

Resonant two-photon threshold ionization spectroscopy is employed to determine the ionization energy of C2 to 5 meV precision, about two orders of magnitude more precise than the previously accepted value. Through exploration of the ionization threshold after pumping the 0-3 band of the newly discovered 4(3)Πg ← a(3)Πu band system of C2, the ionization energy of the lowest rovibronic level of the a(3)Πu state was determined to be 11.791(5) eV. Accounting for spin-orbit and rotational effects, we calculate that the ionization energy of the forbidden origin of the a(3)Πu state is 11.790(5) eV, in excellent agreement with quantum thermochemical calculations which give 11.788(10) eV. The experimentally derived ionization energy of X(1)Σg(+) state C2 is 11.866(5) eV.

Publication types

Research Support, Non-U.S. Gov't
Research Support, U.S. Gov't, Non-P.H.S.