On the electron affinity of B2

Vassiliki Alexandra Glezakou; Peter R. Taylor

doi:10.1255/ejms.988

On the electron affinity of B₂

Vassiliki Alexandra Glezakou
, Peter R. Taylor

Research output: Contribution to journal › Article › peer-review

1 Scopus citations

Abstract

We present the results of high-level ab initio calculations on the electron affinity of B₂. Our new best estimate of 1.93±0.03eV is in agreement with previous calculations as well as the sole existing experimental estimate of 1.8eV, as derived from quantities with an uncertainty of O.4eV. 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.

Original language	English
Pages (from-to)	337-341
Number of pages	5
Journal	European Journal of Mass Spectrometry
Volume	15
Issue number	2
DOIs	https://doi.org/10.1255/ejms.988
State	Published - 2009
Externally published	Yes

Keywords

Boron clusters
Correlated treatment
Diatomic boron
Electron affinity
Homonuclear diatomics

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10.1255/ejms.988

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title = "On the electron affinity of B2",

abstract = "We present the results of high-level ab initio calculations on the electron affinity of B2. Our new best estimate of 1.93±0.03eV is in agreement with previous calculations as well as the sole existing experimental estimate of 1.8eV, as derived from quantities with an uncertainty of O.4eV. 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.",

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AU - Taylor, Peter R.

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AB - We present the results of high-level ab initio calculations on the electron affinity of B2. Our new best estimate of 1.93±0.03eV is in agreement with previous calculations as well as the sole existing experimental estimate of 1.8eV, as derived from quantities with an uncertainty of O.4eV. 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.

KW - Boron clusters

KW - Correlated treatment

KW - Diatomic boron

KW - Electron affinity

KW - Homonuclear diatomics

UR - https://www.scopus.com/pages/publications/65349131941

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DO - 10.1255/ejms.988

M3 - Article

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SP - 337

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JO - European Journal of Mass Spectrometry

JF - European Journal of Mass Spectrometry

IS - 2

ER -

On the electron affinity of B₂

Abstract

Keywords

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