On the Molecular and Electronic Structures of AsP3 and P 4

Brandi M. Cossairt, Christopher C. Cummins, Ashley R. Head, Dennis L Lichtenberger, Raphael J F Berger, Stuart A. Hayes, Norbert W. Mitzel, Gang Wu

Research output: Contribution to journalArticle

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Abstract

The molecular and electronic structures of AsP3 and P 4 have been investigated. Gas-phase electron diffraction studies of AsP3 have provided rg bond lengths of 2.3041(12) and 2.1949(28) Å for the As-P interatomic distances and the P-P interatomic distances, respectively. The gas-phase electron diffraction structure of P 4 has been redetermined and provides an updated value of 2.1994(3) Å for the P-P interatomic distances, reconciling conflicting literature values. Gas-phase photoelectron spectroscopy provides experimental values for the energies of ionizations from the valence molecular orbitals of AsP 3 and P4 and shows that electronically AsP3 and P4 are quite similar. Solid-state 75As and 31P NMR spectroscopy demonstrate the plastic nature of AsP3 and P 4 as solids, and an extreme upfield 75As chemical shift has been confirmed for the As atom in AsP3. Finally, quantum chemical gauge-including magnetically induced current calculations show that AsP 3 and P4 can accurately be described as strongly aromatic. Together these data provide a cohesive description of the molecular and electronic properties of these two tetraatomic molecules.

Original languageEnglish (US)
Pages (from-to)8459-8465
Number of pages7
JournalJournal of the American Chemical Society
Volume132
Issue number24
DOIs
StatePublished - Jun 23 2010

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Molecular Structure
Molecular structure
Electronic structure
Gases
Electron diffraction
Electrons
Photoelectron Spectroscopy
Induced currents
Chemical shift
Bond length
Molecular orbitals
Photoelectron spectroscopy
Electronic properties
Nuclear magnetic resonance spectroscopy
Plastics
Gages
Ionization
Magnetic Resonance Spectroscopy
Atoms
Molecules

ASJC Scopus subject areas

  • Chemistry(all)
  • Catalysis
  • Biochemistry
  • Colloid and Surface Chemistry

Cite this

Cossairt, B. M., Cummins, C. C., Head, A. R., Lichtenberger, D. L., Berger, R. J. F., Hayes, S. A., ... Wu, G. (2010). On the Molecular and Electronic Structures of AsP3 and P 4. Journal of the American Chemical Society, 132(24), 8459-8465. https://doi.org/10.1021/ja102580d

On the Molecular and Electronic Structures of AsP3 and P 4. / Cossairt, Brandi M.; Cummins, Christopher C.; Head, Ashley R.; Lichtenberger, Dennis L; Berger, Raphael J F; Hayes, Stuart A.; Mitzel, Norbert W.; Wu, Gang.

In: Journal of the American Chemical Society, Vol. 132, No. 24, 23.06.2010, p. 8459-8465.

Research output: Contribution to journalArticle

Cossairt, BM, Cummins, CC, Head, AR, Lichtenberger, DL, Berger, RJF, Hayes, SA, Mitzel, NW & Wu, G 2010, 'On the Molecular and Electronic Structures of AsP3 and P 4', Journal of the American Chemical Society, vol. 132, no. 24, pp. 8459-8465. https://doi.org/10.1021/ja102580d
Cossairt, Brandi M. ; Cummins, Christopher C. ; Head, Ashley R. ; Lichtenberger, Dennis L ; Berger, Raphael J F ; Hayes, Stuart A. ; Mitzel, Norbert W. ; Wu, Gang. / On the Molecular and Electronic Structures of AsP3 and P 4. In: Journal of the American Chemical Society. 2010 ; Vol. 132, No. 24. pp. 8459-8465.
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