A mass spectrometric investigation of chloro-, bromo- and methyl-ferrocenes by electron and photon impact ionisation

Barfuss, Steve L.; Emrich, K.; Hirschwald, W.; Dowben, Peter A.; Boag, Neil M.

doi:10.1016/0022-328x(90)80175-y

Cited by 23 publications

(7 citation statements)

References 20 publications

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“…We now report the successful determination of the molecular structure, equilibrium conformation and barrier to internal rotation in decachloroferrocene by gas electron diffraction (GED) and characterized by 13 C NMR and mass spectrometry. The gas electron diffraction data were recorded on the GED/MS unit at Ivanovo State University of Chemistry and Technology 18 with the stainless steel effusion cell at 160 ± 6 • C. The mass spectra (U i = 50 V) from m/z = 1 to 400 recorded simultaneously with the gas electron diffraction data, were similar to those reported by Barfuss and coworkers, 5 and provided no evidence for impurities or thermal decomposition. Fe(C 5 Cl 5 ) 2 is thermally stable below 270 • C. 3 Exposures were made with nozzle-to-plate distances of about 60 and 34 cm.…”

Section: Introductionsupporting

confidence: 59%

The molecular structure, equilibrium conformation and barrier to internal rotation in decachloroferrocene, Fe(η-C5Cl5)2, determined by gas electron diffraction

et al. 2010

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The molecular structure of decachloroferrocene has been determined by gas electron diffraction supported by quantum chemical calculations. The equilibrium conformation has staggered ligand rings and D(5d) symmetry. The barrier to internal rotation is, however, only 0.8(2) kJ mol⁻¹. This barrier is so low that even at room temperature the vast majority of molecules in the gas phase would have sufficient thermal energy to undergo virtually non-hindered internal rotation. While the eclipsed equilibrium conformation of unsubstituted ferrocene is determined by attractive dispersion interaction between the two cyclopentadienyl ligands, the staggered equilibrium conformation of Fe(η-C₅Cl₅)₂ is due to steric repulsion between Cl atoms at different rings. The ligands are non-planar: the C-Cl bonds are bent 3.7(3)° out of the plane of the C₅ ring away from the metal atom. The Fe-C, C-C and C-Cl bond distances (r(a)) are: 205.0(4) pm, 143.4(3) pm and 170.2(4) pm respectively.

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Section: Introductionsupporting

confidence: 59%

The molecular structure, equilibrium conformation and barrier to internal rotation in decachloroferrocene, Fe(η-C5Cl5)2, determined by gas electron diffraction

et al. 2010

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“…35 Even the partial dissociation of fer- rocene, such as the loss of hydrogen, is very likely to increase the heat of desorption and hence the desorption temperature. The loss of hydrogen or ligand to metal cleavage would leave the molecular orbitals of the cyclopentadiene largely intact.…”

Section: Identification Of the Surface Speciesmentioning

confidence: 99%

Ultraviolet and electron radiation induced fragmentation of adsorbed ferrocene

Welipitiya¹,

Green²,

Woods³

et al. 1996

Journal of Applied Physics

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Welipitiya, Dulip; Green, A.; Woods, J.P.; Dowben, Peter A.; Robertson, Brian W.; Byun, Dongjin; and Zhang, Jiandi, "Ultraviolet and electron radiation induced fragmentation of adsorbed ferrocene" (1996) From thermal desorption spectroscopy we find that ferrocene, Fe͑C 5 H 5 ͒ 2 , adsorbs and desorbs associatively on Ag͑100͒. Photoemission results indicate that the initially adsorbed surface species closely resembles that of molecular ferrocene. The shift in photoemission binding energies relative to the gas phase is largely independent of the molecular orbital. We find that ultraviolet light does lead to partial fragmentation of the ferrocene and that the molecular fragments are much more strongly bound to the surface than the associatively adsorbed ferrocene. Since fragmentation occurs only in the presence of incident radiation, selective area deposition from this class of molecules is possible. Using a focused electron beam in a scanning transmission electron microscope, we show that selective area deposition of features with resolution of a few hundred angstroms is readily achieved.

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“…3,4 In particular, metal carbonyls and metallocenes are commonly characterized by EI due to their high volatility and thermostability (e.g., ferrocene, which forms a highly abundant molecular ion). 5,6 Sample introduction in EI can be directly into the source or as effluent from a gas chromatography (GC) column. 7 The sample introduction step in EI for air-sensitive compounds is problematic because the sample is exposed to air for a short time.…”

Section: Electron Ionizationmentioning

confidence: 99%

Handling considerations for the mass spectrometry of reactive organometallic compounds

et al. 2022

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Mass spectrometry is a powerful tool in disparate areas of chemistry, but its characteristic strength of sensitivity can be an Achilles heel when studying highly reactive organometallic compounds. A quantity of material suitable for mass spectrometric analysis often represents a tiny grain or a very dilute solution, and both are highly susceptible to decomposition due to ambient oxygen or moisture. This complexity can be frustrating to chemists and analysts alike: the former being unable to get spec-

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A mass spectrometric investigation of chloro-, bromo- and methyl-ferrocenes by electron and photon impact ionisation

Cited by 23 publications

References 20 publications

The molecular structure, equilibrium conformation and barrier to internal rotation in decachloroferrocene, Fe(η-C5Cl5)2, determined by gas electron diffraction

The molecular structure, equilibrium conformation and barrier to internal rotation in decachloroferrocene, Fe(η-C5Cl5)2, determined by gas electron diffraction

Ultraviolet and electron radiation induced fragmentation of adsorbed ferrocene

Handling considerations for the mass spectrometry of reactive organometallic compounds

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