Structural isomers of Ti2O4 and Zr2O 4 anions identified by slow photoelectron velocity-map imaging spectroscopy

Jongjin B. Kim; Marissa L. Weichman; Daniel M. Neumark

doi:10.1021/ja502713v

Structural isomers of Ti₂O₄ and Zr₂O ₄ anions identified by slow photoelectron velocity-map imaging spectroscopy

Jongjin B. Kim, Marissa L. Weichman, Daniel M. Neumark

Research output: Contribution to journal › Article › peer-review

38 Scopus citations

Abstract

High-resolution anion photoelectron spectra are reported for the group 4 metal dioxide clusters Ti₂O₄^- and Zr ₂O₄^-. Slow photoelectron velocity-map imaging (SEVI) spectroscopy of cryogenically cooled, mass-selected anions yields photoelectron spectra with submillielectronvolt resolution, revealing extensive and well-resolved vibrational progressions. By comparison of the spectra with Franck-Condon simulations, we have identified the C_2v and C _3v isomers as the ground states of Ti₂O₄ ^- and Zr₂O₄^- anions, respectively. Minor contributions from the C_2h isomer of Ti₂O ₄^- and the C_2v isomer of Zr₂O ₄^- are also seen. The SEVI spectra yield upper bounds for the adiabatic detachment energies, as well as vibrational frequencies for various modes of the neutral Ti₂O₄ and Zr ₂O₄ species.

Original language	English (US)
Pages (from-to)	7159-7168
Number of pages	10
Journal	Journal of the American Chemical Society
Volume	136
Issue number	19
DOIs	https://doi.org/10.1021/ja502713v
State	Published - May 14 2014
Externally published	Yes

All Science Journal Classification (ASJC) codes

Catalysis
Chemistry(all)
Biochemistry
Colloid and Surface Chemistry

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10.1021/ja502713v

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title = "Structural isomers of Ti2O4 and Zr2O 4 anions identified by slow photoelectron velocity-map imaging spectroscopy",

abstract = "High-resolution anion photoelectron spectra are reported for the group 4 metal dioxide clusters Ti2O4- and Zr 2O4-. Slow photoelectron velocity-map imaging (SEVI) spectroscopy of cryogenically cooled, mass-selected anions yields photoelectron spectra with submillielectronvolt resolution, revealing extensive and well-resolved vibrational progressions. By comparison of the spectra with Franck-Condon simulations, we have identified the C2v and C 3v isomers as the ground states of Ti2O4 - and Zr2O4- anions, respectively. Minor contributions from the C2h isomer of Ti2O 4- and the C2v isomer of Zr2O 4- are also seen. The SEVI spectra yield upper bounds for the adiabatic detachment energies, as well as vibrational frequencies for various modes of the neutral Ti2O4 and Zr 2O4 species.",

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year = "2014",

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T1 - Structural isomers of Ti2O4 and Zr2O 4 anions identified by slow photoelectron velocity-map imaging spectroscopy

AU - Kim, Jongjin B.

AU - Weichman, Marissa L.

AU - Neumark, Daniel M.

PY - 2014/5/14

Y1 - 2014/5/14

N2 - High-resolution anion photoelectron spectra are reported for the group 4 metal dioxide clusters Ti2O4- and Zr 2O4-. Slow photoelectron velocity-map imaging (SEVI) spectroscopy of cryogenically cooled, mass-selected anions yields photoelectron spectra with submillielectronvolt resolution, revealing extensive and well-resolved vibrational progressions. By comparison of the spectra with Franck-Condon simulations, we have identified the C2v and C 3v isomers as the ground states of Ti2O4 - and Zr2O4- anions, respectively. Minor contributions from the C2h isomer of Ti2O 4- and the C2v isomer of Zr2O 4- are also seen. The SEVI spectra yield upper bounds for the adiabatic detachment energies, as well as vibrational frequencies for various modes of the neutral Ti2O4 and Zr 2O4 species.

AB - High-resolution anion photoelectron spectra are reported for the group 4 metal dioxide clusters Ti2O4- and Zr 2O4-. Slow photoelectron velocity-map imaging (SEVI) spectroscopy of cryogenically cooled, mass-selected anions yields photoelectron spectra with submillielectronvolt resolution, revealing extensive and well-resolved vibrational progressions. By comparison of the spectra with Franck-Condon simulations, we have identified the C2v and C 3v isomers as the ground states of Ti2O4 - and Zr2O4- anions, respectively. Minor contributions from the C2h isomer of Ti2O 4- and the C2v isomer of Zr2O 4- are also seen. The SEVI spectra yield upper bounds for the adiabatic detachment energies, as well as vibrational frequencies for various modes of the neutral Ti2O4 and Zr 2O4 species.

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Structural isomers of Ti₂O₄ and Zr₂O ₄ anions identified by slow photoelectron velocity-map imaging spectroscopy

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