Cyclopentadienyl complexes electronic spectra

A careful analysis, based on CASSCF/CASPT2 and TDDFT calculations, of the electronic spectrum of 7]5-CpMn(CO)3, a mono(cyclopentadienyl) complex which has been widely investigated for its photochemical reactivity, has been reported by Full et al [88]. The capability of TDDFT and highly correlated ab initio methods to describe MC and MLCT states of this organome-... 

Nitric oxide, like the 7r-allyl group, can act as a 3-electron ligand a number of stable a -cyclopentadienyl nitrosyl complexes are known. The preparations of some of these complexes are shown in Figures 30 and 32. The series tt-CsHsMNO, where M = Ni [28], Pd [194], and Pt [195], is well characterized and the microwave spectrum of the nickel complex shows the synametric structure given in Figure 28, p. 112 [196]. In this molecule, the short Ni-N distance (1-676 0-02 A) indicates considerable multiple bonding. The dinitrosyl n -C5H r(NO)2CI similarly has a short Cr-N bond (1-72 A) [196a]. 

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