Photoelectron spectroscopy of BH3-

Article abstract of DOI:10.1063/1.456104

We have studied the photoelectron spectra of BH3^- and BD3^- and have measured the electron affinities of borane; we find EA(BH3)=0.038+/-0.015 eV and EA(BD3)=0.027+/-0.014 eV.The peak splittings and intensities demonstrate that the BH3^- ion and the BH3 neutral have very similar geometries; our spectra are consistent with a planar structure for both species.Variational calculations of a coupled oscillator basis over an ab initio potential give an excellent fit to the experimental frequencies and photodetachment Franck-Condon factors.This ab initio model leads toequilibrium geometries with both BH3 and BH3^- as planar molecules with r_e(BH3^-)=1.207 Angstroem and r_e(BH3)=1.188 Angstroem.We find ΔH_f0 ^o(BH3^-)=23.1+/-3.8 kcal mol^-1.

Full text of DOI:10.1063/1.456104

Photoelectron spectroscopy of BH− 3
C. Tom WickhamJones, Sean Moran, and G. Barney Ellison
Citation: The Journal of Chemical Physics 90, 795 (1989); doi: 10.1063/1.456104
View online: http://dx.doi.org/10.1063/1.456104
View Table of Contents: http://scitation.aip.org/content/aip/journal/jcp/90/2?ver=pdfcov
Published by the AIP Publishing
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This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
141.212.109.170 On: Fri, 12 Dec 2014 18:53:34

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
141.212.109.170 On: Fri, 12 Dec 2014 18:53:34

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
141.212.109.170 On: Fri, 12 Dec 2014 18:53:34

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
141.212.109.170 On: Fri, 12 Dec 2014 18:53:34

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
141.212.109.170 On: Fri, 12 Dec 2014 18:53:34

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
141.212.109.170 On: Fri, 12 Dec 2014 18:53:34

This article is copyrighted as indicated in the article. Reuse of AIP content is subject to the terms at: http://scitation.aip.org/termsconditions. Downloaded to IP:
141.212.109.170 On: Fri, 12 Dec 2014 18:53:34