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The molecular structures of the phosphinoarylthiolato molybdenum and iron complexes [Mo{(SC 6 H 4 -2-PPh 2 )-κ 2 S , P } 2 (CO) 2 ] ( 1 ) and [Fe{(SC 6 H 4 -2-PPh 2 )-κ 2 S , P } 2 (CO) 2 ] ( 2 ) are reported. They both have a central hexacoordinate metal(II) cation, but compound 1 has a trigonal-prismatic geometry with both CO and both thiolato groups in cis arrangement, while iron(II) complex 2 displays a pseudo-octahedral structure with both CO, both phosphino and both thiolato groups in trans arrangement. This is in a good agreement with DFT calculations, which showed that the different coordination geometry of molybdenum and iron in complexes 1 and 2 is a consequence of the number of d electrons (electronic factor) combined with the geometrical factors. |
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