Abstract

European Journal of Mass Spectrometry
Volume 15 Issue 2, Pages 337–341 (2009)
doi: 10.1255/ejms.988

On the electron affinity of B₂

Vassiliki-Alexandra Glezakou^a and Peter R. Taylor^b,*
^aPacific Northwest National Laboratory, PO Box 999, Richland, WA 99352, USA. E-mail: Vanda.Glezakou@pnl.gov
^bDepartment of Chemistry and Centre for Scientific Computing, University of Warwick, Coventry CV4 7AL, United Kingdom. Email: p.r.taylor@warwick.ac.uk

We present the results of high-level ab initio calculations on the electron affinity of B₂. Our new best estimate of 1.93 ∓ 0.03 eV is in agreement with previous calculations as well as the sole existing experimental estimate of 1.8 eV, as derived from quantities with an uncertainty of 0.4 eV. The electron affinity of atomic boron, which is much smaller, is also calculated for comparison and again found to be in good agreement with experiment.

Keywords: electron affinity, homonuclear diatomics, correlated treatment, diatomic boron, boron clusters

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