The ionization energy of C2.

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

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

Afiliação

Krechkivska O; School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia.
Bacskay GB; School of Chemistry, The University of Sydney, Sydney, New South Wales 2006, Australia.
Welsh BA; School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia.
Nauta K; School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia.
Kable SH; School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia.
Stanton JF; Department of Chemistry, The University of Texas at Austin, Austin, Texas 78712, USA.
Schmidt TW; School of Chemistry, UNSW Sydney, Sydney, New South Wales 2052, Australia.

J Chem Phys ; 144(14): 144305, 2016 Apr 14.

Article em En | MEDLINE | ID: mdl-27083719

ABSTRACT

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 â 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.

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Texto completo: 1 Coleções: 01-internacional Base de dados: MEDLINE Idioma: En Revista: J Chem Phys Ano de publicação: 2016 Tipo de documento: Article País de afiliação: Austrália

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