Le strutture elettroniche e gli spettri dei metallocarbonili $Cr(CO)_6$ e $Ni(CO)_4$

Biagini Cingi , M. and Tondello, E. (1974) Le strutture elettroniche e gli spettri dei metallocarbonili $Cr(CO)_6$ e $Ni(CO)_4$. Accademia Peloritana dei Pericolanti Classe FF.MM.NN., 54. pp. 225-229.

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Abstract

SCF-MO calculations, according to Roothaan scheme with ZDO approximations of Pople-Parises-Parr and with CNDO ones, have been carried out for $Cr(CO)_6$ and $Ni(CO)_4$, ZDO calculations uses the valence basis set of the central atom and the $1\pi, 3\sigma, 2\pi$ molecular orbitals of free carbon monoxide.

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