On the Molecular and Electronic Structures of AsP3 and P-4

Cossairt BM, Cummins CC, Head AR, Lichtenberger DL, Berger R, Hayes SA, Mitzel NW, Wu G (2010)
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132(24): 8459-8465.

Zeitschriftenaufsatz | Veröffentlicht | Englisch
 
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Abstract / Bemerkung
The molecular and electronic structures of AsP3 and P-4 have been investigated. Gas-phase electron diffraction studies of AsP3 have provided r(g) bond lengths of 2.3041(12) and 2.1949(28) angstrom 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) angstrom 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 AsP3 and P-4 and shows that electronically AsP3 and P-4 are quite similar. Solid-state As-75 and P-31 NMR spectroscopy demonstrate the plastic nature of AsP3 and P-4 as solids, and an extreme upfield As-75 chemical shift has been confirmed for the As atom in AsP3. Finally, quantum chemical gauge-including magnetically induced current calculations show that AsP3 and P-4 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.
Erscheinungsjahr
2010
Zeitschriftentitel
JOURNAL OF THE AMERICAN CHEMICAL SOCIETY
Band
132
Ausgabe
24
Seite(n)
8459-8465
ISSN
0002-7863
eISSN
1520-5126
Page URI
https://pub.uni-bielefeld.de/record/1795308

Zitieren

Cossairt BM, Cummins CC, Head AR, et al. On the Molecular and Electronic Structures of AsP3 and P-4. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 2010;132(24):8459-8465.
Cossairt, B. M., Cummins, C. C., Head, A. R., Lichtenberger, D. L., Berger, R., Hayes, S. A., Mitzel, N. W., et al. (2010). On the Molecular and Electronic Structures of AsP3 and P-4. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(24), 8459-8465. doi:10.1021/ja102580d
Cossairt, B. M., Cummins, C. C., Head, A. R., Lichtenberger, D. L., Berger, R., Hayes, S. A., Mitzel, N. W., and Wu, G. (2010). On the Molecular and Electronic Structures of AsP3 and P-4. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132, 8459-8465.
Cossairt, B.M., et al., 2010. On the Molecular and Electronic Structures of AsP3 and P-4. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, 132(24), p 8459-8465.
B.M. Cossairt, et al., “On the Molecular and Electronic Structures of AsP3 and P-4”, JOURNAL OF THE AMERICAN CHEMICAL SOCIETY, vol. 132, 2010, pp. 8459-8465.
Cossairt, B.M., Cummins, C.C., Head, A.R., Lichtenberger, D.L., Berger, R., Hayes, S.A., Mitzel, N.W., Wu, G.: On the Molecular and Electronic Structures of AsP3 and P-4. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY. 132, 8459-8465 (2010).
Cossairt, Brandi M., Cummins, Christopher C., Head, Ashley R., Lichtenberger, Dennis L., Berger, Raphael, Hayes, Stuart A., Mitzel, Norbert W., and Wu, Gang. “On the Molecular and Electronic Structures of AsP3 and P-4”. JOURNAL OF THE AMERICAN CHEMICAL SOCIETY 132.24 (2010): 8459-8465.

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