Comparison of electron impact and chemical ionization mass spectra of some arenetricarbonylchromium complexes

Vandenheuvel, W.J.A.; Walker, Robert; Nagelberg, Steven B.; Willeford, Bennett R.

doi:10.1016/s0022-328x(00)82880-6

Cited by 17 publications

(5 citation statements)

References 20 publications

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“…The latter ion is a result of the complete dissociative photoionization of the molecular ion to Cr + + C 6 H 6 + 3CO, whose final product energy is well-established. The results are in qualitative agreement with the electron ionization studies that also show these sequential ionization steps. ,,, …”

Section: Resultssupporting

confidence: 88%

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Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C₆H₆Cr(CO)₃ Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

McGrady

Baer

2002

J. Am. Chem. Soc.

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photoelectron-photoion coincidence spectroscopy and density functional theory calculations have been used to investigate the dissociation kinetics of the benzene chromium tricarbonyl ion, BzCr(CO)3+ (Bz = C6H6). The dissociation of the BzCr(CO)3+ ion proceeds by the sequential loss of three CO and benzene ligands. The first and third CO and the benzene loss reactions were associated with metastable precursor ions (lifetimes in the microsecond range). By simulating the resulting asymmetric time-of-flight peak shapes and breakdown diagram, the 0 K appearance energies of the four product ions were determined to be 8.33 +/- 0.05, 8.93 +/- 0.05, 9.97 +/- 0.06, and 11.71 +/- 0.06 eV, respectively. Combined with the ionization energy of BzCr(CO)3, 7.30 +/- 0.05 eV, the three successive Cr-CO bond energies in the BzCr(CO)3+ were found to alternate, with values of 1.03 +/- 0.05, 0.60 +/- 0.05, and 1.04 +/- 0.05 eV, respectively, and the Bz-Cr bond energy in BzCr+ is 1.74 +/- 0.05 eV, a trend confirmed by the density functional theory (DFT) calculations. Using the heats of formation of the fully dissociated products, C6H6, Cr+, and CO, the 298 K heats of formation the ionic BzCr(CO)n+ (n = 03) species were determined. By scaling the DFT calculated bond energies for the neutral molecules, the heats of formation of the neutral BzCr(CO)n (n = 03) were also obtained.

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Section: Resultssupporting

confidence: 88%

“…In the electron ionization experiments, ,,,, BzCr(CO) 2 + ion is found with low intensity. From the breakdown diagram in Figure , it can be seen that the dissociation onsets of the first and the second CO loss are very close; that is, the BzCr(CO) 2 + ion is stable over only a small energy range and easily dissociates to BzCrCO + and CO.…”

Section: Resultsmentioning

confidence: 93%

Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C₆H₆Cr(CO)₃ Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

McGrady

Baer

2002

J. Am. Chem. Soc.

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“…The spectroscopic data for tricarbonyl(η 6 -triptycene)chromium(0) ( 2 ) were identical with those reported in the literature. − , …”

Section: Methodssupporting

confidence: 79%

Synthesis and Structures of All Possible Cr(CO)₃ Complexes of Triptycene

1997

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“…All compounds were characterized by elemental analysis, IR and NMR spectroscopy, mass spectrometry, and in the case of 3c , 4a , and 5a by single‐crystal X‐ray diffraction (XRD) analysis. The deviations in elemental analysis data are explained by the sensitivity of the compounds and by the partial combustion due to the presence of transition metals.…”

Section: Resultsmentioning

confidence: 99%

Aryl Oligogermanes as Ligands for Transition Metal Complexes

et al. 2018

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The ligand properties of a series of aryl oligogermanes R3Ge‐GeAr3, 3–7 [Me3Ge‐GePh3 (3), Me3Ge‐Ge(pTol)3 (4), Ph3Ge‐GePh3 (5), (C6F5)3Ge‐GePh3 (6), Ph3Ge‐GeMe2GePh3 (7)] for the synthesis of transition metal carbonyl complexes such as R3Ge‐GeAr2(R′C6H4‐η6)M(CO)3 (M = Cr, 3a–7a; M = Mo, 3b; M = W, 3c) were investigated. The target complexes were obtained in moderate yields using several different synthetic approaches. The physicochemical properties of these new derivatives were investigated by IR, UV/Vis, NMR spectroscopy, electrochemistry, and DFT calculations. The molecular structures of 3c, 4a, and 5a were studied by single‐crystal X‐ray diffraction analysis. A comparative analysis of donor and acceptor properties of aryl oligogermanes as ligands for transition metal carbonyl complexes is reported.

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Comparison of electron impact and chemical ionization mass spectra of some arenetricarbonylchromium complexes

Cited by 17 publications

References 20 publications

Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C₆H₆Cr(CO)₃ Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C₆H₆Cr(CO)₃ Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

Synthesis and Structures of All Possible Cr(CO)₃ Complexes of Triptycene

Aryl Oligogermanes as Ligands for Transition Metal Complexes

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Comparison of electron impact and chemical ionization mass spectra of some arenetricarbonylchromium complexes

Cited by 17 publications

References 20 publications

Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C6H6Cr(CO)3 Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C6H6Cr(CO)3 Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

Synthesis and Structures of All Possible Cr(CO)3 Complexes of Triptycene

Aryl Oligogermanes as Ligands for Transition Metal Complexes

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Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C₆H₆Cr(CO)₃ Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

Metal−Benzene and Metal−CO Bond Energies in Neutral and Ionic C₆H₆Cr(CO)₃ Studied by Threshold Photoelectron−Photoion Coincidence Spectroscopy and Density Functional Theory

Synthesis and Structures of All Possible Cr(CO)₃ Complexes of Triptycene