Structural, spectroscopic and energetic parameters of P-bearing species having astrophysical importance

References

• Agúndez, M., Cernicharo, J., & Guélin, M. (2007). Discovery of phosphaethyne(HCP) in space: Phosphorus chemistry in circumstellar envelopes. The Astrophysical Journal, 662, L91–L94. Retrieved from http://iopscience.iop.org/1538-4357/662/2/L9110.1086/519561
   Google Scholar
• Botschwina, P., Oswald, R., Linnartz, H., & Verdes, D. (2000). The ν1 and ν2 bands of Ar HN2+: A joint theoretical/experimental study. The Journal of Chemical Physics, 113, 2736–2740. Retrieved from http://scitation.aip.org/content/aip/journal/jcp/113/7/10.1063/1.130526310.1063/1.1305263
   Google Scholar
• Brinkmann, N. R., Tschumper, G. S., & Schaefer, H. F. (1999). Electron affinities of the oxides of aluminum, silicon, phosphorus, sulfur, and chlorine. The Journal of Chemical Physics, 110, 6240–6245. Retrieved from http://www.researchgate.net/publication/6500864_Kinetics_of_sulfur_oxide_sulfur_fluoride_and_sulfur_oxyfluoride_anions_with_atomic_species_at_298_and_500_K10.1063/1.478528
   Google Scholar
• Clark, T., Chandrasekhar, J., Spitznagel, G. W., & Schleyer, P. V. R. (1983). Efficient diffuse function-augmented basis sets for anion calculations. III. The 3-21+G basis set for first-row elements, Li–F. Journal of Computational Chemistry, 4, 294–301. Retrieved from http://onlinelibrary.wiley.com/doi/10.1002/jcc.540040303/abstract10.1002/(ISSN)1096-987X
   Google Scholar
• Curtiss, L. A., Raghavachari, K., Trucks, G. W., & Pople, J. A. (1991). Gaussian-2 theory for molecular energies of first- and second-row compounds. The Journal of Chemical Physics, 94, 7221–7230. Retrieved from http://www.researchgate.net/publication/234983938_Gaussian2_theory_using_reduced_MllerPlesset_orders10.1063/1.460205
   Google Scholar
• Drowart, J., Myers, C. E., Szwarc, R., Vander Auwera-Mahieu, A., & Uy, O. M. (1973). The dissociation energies of the molecules PS, PSe, and PTe. High Temperature Science, 5, 482–488.
   Web of Science ®Google Scholar
• Dunning, T. H. (1989). Gaussian basis sets for use in correlated molecular calculations. I. The atoms boron through neon and hydrogen. The Journal of Chemical Physics, 90, 1007–1023. Retrieved from http://scitation.aip.org/content/aip/journal/jcp/90/2/10.1063/1.45615310.1063/1.456153
   Google Scholar
• Dyke, J. M., Morris, A., & Ridha, A. (1982). Study of the ground state of PO+ using photoelectron spectroscopy. Journal of the Chemical Society, Faraday Transactions 2, 78, 2077–2082. Retrieved from http://pubs.rsc.org/en/Content/ArticleLanding/1982/F2/f29827802077#!divAbstract10.1039/f29827802077
   Google Scholar
• Frisch, M. J., Pople, J. A., & Binkley, J. S. (1984). Self-consistent molecular orbital methods 25. Supplementary functions for Gaussian basis sets. The Journal of Chemical Physics, 80, 3265–3269. Retrieved from http://scitation.aip.org/content/aip/journal/jcp/80/7/10.1063/1.44707910.1063/1.447079
   Google Scholar
• Frisch, M. J., Trucks, G. W., Schlegel, H. B., Scuseria, G. E., Robb, M. A., Cheeseman, J. R., … Pople, J. A. (2003). Gaussian 03, revision B.03. Pittsburgh, PA: Gaussian.
   Google Scholar
• Gill, P. M. W., Johnson, B. G., Pople, J. A., & Frisch, M. (1992). The performance of the Becke–Lee–Yang–Parr (B–LYP) density functional theory with various basis sets. Chemical Physics Letters, 197, 499–505. Retrieved from http://www.sciencedirect.com/science/article/pii/000926149285807M10.1016/0009-2614(92)85807-M
   Web of Science ®Google Scholar
• Huber, K. P., & Herzberg, G. (1979). Molecular spectra and molecular structure. Van Nostrand Reinhold. Retrieved from http://link.springer.com/chapter/10.1007%2F978-1-4757-0961-2_210.1007/978-1-4757-0961-2
   Google Scholar
• Kendall, R. A., Dunning, T. H., & Harrison, R. J. (1992). Electron affinities of the first-row atoms revisited. Systematic basis sets and wave functions. The Journal of Chemical Physics, 96, 6796–6806. Retrieved from http://scitation.aip.org/content/aip/journal/jcp/96/9/10.1063/1.46256910.1063/1.462569
   Google Scholar
• Kroto, H. W., Nixon, J. F., & Ohno, K. (1981). The microwave spectrum of phosphabutadiyne, H–C–C–C–P. Journal of Molecular Spectroscopy, 90, 512–516. Retrieved from http://www.sciencedirect.com/science/article/pii/002228528190134X10.1016/0022-2852(81)90143-0
   Google Scholar
• Metropoulos, A., Papakondylis, A., & Mavridis, A. (2003). Ab initio investigation of the ground state properties of PO, PO+ and PO−. The Journal of Chemical Physics, 119, 5981–5987. Retrieved from http://scitation.aip.org/content/aip/journal/jcp/119/12/10.1063/1.159934110.1063/1.1599341
   Google Scholar
• Müller, H. S. P., & Woon, D. E. (2013). Calculated dipole moments for silicon and phosphorus compounds of astrophysical interest. The Journal of Physical Chemistry A, 117, 13868–13877. Retrieved from http://pubs.acs.org/doi/abs/10.1021/jp408380710.1021/jp4083807
   Google Scholar
• Woon, D. E., & Dunning, T. H. (1993). Gaussian basis sets for use in correlated molecular calculations. III. The atoms aluminum through argon. The Journal of Chemical Physics, 98, 1358–1371. Retrieved from http://scitation.aip.org/content/aip/journal/jcp/98/2/10.1063/1.46430310.1063/1.464303
   Google Scholar
• Yu, H. T., Zhao, Y. L., Kan, W., & Fu, H. G. (2006). A theoretical study on the radical–neutral reaction mechanism of carbon monophosphide, CP, with acetylene, C2H2. Journal of Molecular Structure: THEOCHEM, 772, 45–50. Retrieved from http://www.sciencedirect.com/science/article/pii/S016612800600373310.1016/j.theochem.2006.06.017
   Google Scholar
• Zittel, P. F., & Lineberger, W. C. (1976). Laser photoelectron spectrometry of PO−, PH−, and PH−2. The Journal of Chemical Physics, 65, 1236–1243. Retrieved from http://scitation.aip.org/content/aip/journal/jcp/65/4/10.1063/1.43323210.1063/1.433232
   Google Scholar