On the vibrational assignments of ferrocene, ruthenocene and osmocene

Recommended vapor pressure and thermophysical data for ferrocene

“…The low-frequency modes, whose accuracy is crucial for the calculation of the ideal-gas thermodynamic properties, are the most affected. (ii) The assignments of the vibrational modes that were originally suggested by Lippincott and Nelson [46] and the accuracy of the experimental determinations still have ambiguities [52][53][54][55][56]. (iii) The ideal-gas thermodynamic properties obtained using the calculated frequencies show a better consistency with vapor pressures.…”

Terahertz vibrational spectra of metallocene

“…Lokshin et al [17] mentioned that it is because of crystal effect. However, crystal structure of Cp 2 Fe is monoclinic at room temperature which is identical to Cp 2 Ni, while the peak of Cp 2 Ni does not split.…”

Electronic structures of organometallic complexes of f elements LXXVII: Complementary information of polarized Raman spectra of oriented single crystals and model calculations on the basis of density functional theory for assigning the vibrational spectra of decamethylferrocene

“…Going from FeCp 2 via RuCp 2 to OsCp 2 , the skeletal mode n 4 is increasing in frequency, whereas n 11 and n 21 are decreasing [9]. The same trends hold for the truncated series FeCp* 2 /RuCp* 2 (see Tables 2 and 3).…”

“…In the range 2700e3100 cm À1 , several weak lines (which correspond to overtones [9,20]) and four strong and broad bands at 2853, 2894, 2945 and 2968 cm À1 appear. The first corresponds to the first overtone of the normal mode 10E 1u (2 Â 1425 cm À1 ) and the latter to n s CH 3 , n as CH 3 and n as CH 3 , respectively.…”