Ultraviolet negative-ion photoelectron spectroscopy of the chromium oxide negative ion

Wenthold, Paul G.; Gunion, Robert F.; Lineberger, W. C.

doi:10.1016/0009-2614(96)00611-2

Cited by 49 publications

(65 citation statements)

References 11 publications

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“…We also found a correlation between the EAs of MC 2 and those of M-O, 34,35,[37][38][39][40] as shown in Table II and in Fig. 9.…”

Section: Nature Of Chemical Bonding Between M and C 2 : Periodic Tmentioning

confidence: 65%

“…This would suggest that the 3d-interactions in MC 2 are much stronger whereas the 3d-derived MOs in the monoxides are relatively nonbonding. The latter was supported by the fact that the ground state detachment features in all the monoxide photoelectron spectra yielded much shorter vibrational progressions in the ground state, 34,35,[37][38][39][40] i.e., the extra electron occupies a more nonbonding MO in the monoxide anions. In any case, it appeared that the difference in chemical bonding with carbon between Sc and Ti is already reflected in the MC 2 species.…”

Section: Nature Of Chemical Bonding Between M and C 2 : Periodic Tmentioning

confidence: 95%

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Electronic structure and chemical bonding between the first row transition metals and C2: A photoelectron spectroscopy study of MC2− (M=Sc, V, Cr, Mn, Fe, and Co)

Wang

1999

The Journal of Chemical Physics

109

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Electronic structure and bonding of the 3 d transition metal borides, MB, M = Sc , Ti, V, Cr, Mn, Fe, Co, Ni, and Cu through all electron ab initio calculations Electronic structure and chemical bonding of divanadium-oxide clusters ( V 2 O x , x=3-7) from anion photoelectron spectroscopy Density functional study of mononitrosyls of first-row transition-metal atoms Vibrationally resolved photoelectron spectra of MC 2 Ϫ ͑MϭSc, V, Cr, Mn, Fe, and Co͒ are reported at two detachment photon energies, 532 and 355 nm. All the spectra showed a well resolved vibrational progression in the ground state detachment features. Electron affinities, vibrational frequencies, and information about the low-lying electronic states were obtained for the first row transition metal dicarbide molecules. The measured electron affinities for the MC 2 species show strong metal-dependence with a minimum at VC 2 and a maximum at MnC 2 . The ground state vibrational frequencies were observed to decrease from ScC 2 to a minimum in CrC 2 and then increases slightly in MnC 2 and FeC 2 . The trends of the electron affinities and vibrational frequencies for the MC 2 species were found to correlate well with the corresponding monoxides, suggesting that the chemical bonding in M-C 2 is analogous to that in M-O. The M-C 2 bonding was thus interpreted to be quite ionic, and MC 2 can be qualitatively viewed as M 2ϩ C 2 2Ϫ , analogous to M 2ϩ O 2Ϫ .

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“…We also found a correlation between the EAs of MC 2 and those of M-O, 34,35,[37][38][39][40] as shown in Table II and in Fig. 9.…”

Section: Nature Of Chemical Bonding Between M and C 2 : Periodic Tmentioning

confidence: 65%

Section: Nature Of Chemical Bonding Between M and C 2 : Periodic Tmentioning

confidence: 95%

Electronic structure and chemical bonding between the first row transition metals and C2: A photoelectron spectroscopy study of MC2− (M=Sc, V, Cr, Mn, Fe, and Co)

Wang

1999

The Journal of Chemical Physics

109

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“…It has been determined that photoelectrons originating from a σ orbital will converge to a β value between 1.5 and 2.0. 34 Detachment from a π orbital will converge to a value for β < 0 and detachment from a δ orbital will converge to a value for β > 0. 34 Only peaks observed at multiple photon energies with high intensity will yield values for β in this study.…”

Section: Experimental Methodsmentioning

confidence: 98%

“…34 Detachment from a π orbital will converge to a value for β < 0 and detachment from a δ orbital will converge to a value for β > 0. 34 Only peaks observed at multiple photon energies with high intensity will yield values for β in this study. Spectral transitions with low signal-to-noise ratios did not allow us to accurately fit Eqs.…”

Section: Experimental Methodsmentioning

confidence: 98%

High resolution photoelectron imaging of UO− and UO2− and the low-lying electronic states and vibrational frequencies of UO and UO2

Czekner

Lopez

Wang

2014

The Journal of Chemical Physics

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We report a study of the electronic and vibrational structures of the gaseous uranium monoxide and dioxide molecules using high-resolution photoelectron imaging. Vibrationally resolved photoelectron spectra are obtained for both UO(-) and UO2(-). The spectra for UO2(-) are consistent with, but much better resolved than a recent study using a magnetic-bottle photoelectron analyzer [W. L. Li et al., J. Chem. Phys. 140, 094306 (2014)]. The electron affinity (EA) of UO is reported for the first time as 1.1407(7) eV, whereas a much more accurate EA is obtained for UO2 as 1.1688(6) eV. The symmetric stretching modes for the neutral and anionic ground states, and two neutral excited states for UO2 are observed, as well as the bending mode for the neutral ground state. These vibrational frequencies are consistent with previous experimental and theoretical results. The stretching vibrational modes for the ground state and one excited state are observed for UO. The current results for UO and UO2 are compared with previous theoretical calculations including relativistic effects and spin-orbit coupling. The accurate experimental data reported here provide more stringent tests for future theoretical methods for actinide-containing species.

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“…In particular, iron monoxide has been investigated by mass-selective PES in an early work (Engelking & Lineberger, 1977) and in two recent publications (Drechsler (Taylor et al, 1985) has been used to study this important compound, recent anion-ZEKE spectroscopy revealed new details on the neutral ground and low electronically excited states of FeO. Other metal oxides and their anions, such as CrO and CrO 2 (Wenthold et al, 1996a;, have been studied by massselected PES. The example of iron-carbon hydrides and other metal-containing complexes nicely demonstrates how additional spectroscopy may elucidate structural questions that cannot be solved from mass spectrometric data alone (e.g., fragmentation or neutralization-reionization mass spectra).…”

mentioning

confidence: 98%

Negative ions, mass selection, and photoelectrons

Boesl

Knott

1998

Mass Spectrom. Rev.

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Ultraviolet negative-ion photoelectron spectroscopy of the chromium oxide negative ion

Cited by 49 publications

References 11 publications

Electronic structure and chemical bonding between the first row transition metals and C2: A photoelectron spectroscopy study of MC2− (M=Sc, V, Cr, Mn, Fe, and Co)

Electronic structure and chemical bonding between the first row transition metals and C2: A photoelectron spectroscopy study of MC2− (M=Sc, V, Cr, Mn, Fe, and Co)

High resolution photoelectron imaging of UO− and UO2− and the low-lying electronic states and vibrational frequencies of UO and UO2

Negative ions, mass selection, and photoelectrons

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