Mes2Ge=C=PAr: The first germaphosphaallene

Organometallics

Volumn 15, Issue 13, 1996, Pages 3070-3075

  Ramdane, Hassan ^a   Ranaivonjatovo, Henri ^a   Escudié, Jean ^a   Mathieu, Simon ^b   Knouzi, Noureddine ^c  

^a UMR 5069) 118 route de Narbonne   (France)

^b European Theoretical Spectroscopy Facility   (France)

^c FACULTÉ DES SCIENCES   (Morocco)

Author keywords

[No Author keywords available]

Indexed keywords

EID: 0001101625     PISSN: 02767333     EISSN: None     Source Type: Journal    
DOI: 10.1021/om9600248     Document Type: Article

References (35)

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22. Ramdane, H.; Ranaivonjatovo, H.; Escudié, J.; Satgé, J.; Knouzi, N. To be submitted for publication.
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32. 19 For all atoms, the valence atomic basis sets consist of four Gaussian functions contracted to a double-ζ level and augmented by a polarization function. The geometries are optimized by using a gradient technique. For the sake of reproductibility, the total valence energy for 21 is calculated at -34.374 365 au.
33. Gaussian 92, Revision E.3: Frisch, M. J.; Trucks, G. W.; Head-Gordon, M.; Gill, P. M. W.; Wong, M. W.; Foresman, J. B.; Johnson, B. G.; Schlegel, H. B.; Robb, M. A.; Replogle, E. S.; Gomperts, R.; Andres, J. L.; Raghavachari, K.; Binkley, J. S.; Gonzalez, C.; Martin, R. L.; Fox, D. J.; Defrees, D. J.; Baker, J.; Stewart, J. J. P.; Pople, J. A. Gaussian, Inc., Pittsburgh, PA, 1992.
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35. A theoretical study of the potential energy surface at a higher level of theory is in progress. The full set of results including methodological details, all geometrical parameters, and correlation corrections will be published separately.