Spectroscopic and Theoretical Studies of Transition Metal Oxides and Dioxygen Complexes

Gong, Yu; Zhou, Mingfei; Andrews, Lester

doi:10.1021/cr900185x

Cited by 362 publications

(340 citation statements)

References 876 publications

Supporting

Mentioning

322

Contrasting

Unclassified

Order By: Relevance

“…In all cases no features to the blue of the excitation wavelength were observed, confirming that the lower level associated with the LIF spectra is theX 1 A 1 (0, 0, 0) state. DLIF spectra resulting from the excitation of theÃ 1 …”

Section: Observationmentioning

confidence: 99%

See 1 more Smart Citation

The visible spectrum of zirconium dioxide, ZrO2

Steimle

Gupta

et al. 2011

The Journal of Chemical Physics

View full text Add to dashboard Cite

The electronic spectrum of a cold molecular beam of zirconium dioxide, ZrO 2 , has been investigated using laser induced fluorescence (LIF) in the region from 17 000 cm −1 to 18 800 cm −1 and by massresolved resonance enhanced multi-photon ionization (REMPI) spectroscopy from 17 000 cm −1 -21 000 cm −1 . The LIF and REMPI spectra are assigned to progressions in theÃ 1 B 2 (ν 1 , ν 2 , ν 3 ) ←X 1 A 1 (0, 0, 0) transitions. Dispersed fluorescence from 13 bands was recorded and analyzed to produce harmonic vibrational parameters for theX 1 A 1 state of ω 1 = 898(1) cm −1 , ω 2 = 287(2) cm −1 , and ω 3 = 808(3) cm −1 . The observed transition frequencies of 45 bands in the LIF and REMPI spectra produce origin and harmonic vibrational parameters for theÃ 1 B 2 state of T e = 16 307(8) cm −1 , ω 1 = 819(3) cm −1 , ω 2 = 149(3) cm −1 , and ω 3 = 518(4) cm −1 . The spectra were modeled using a normal coordinate analysis and Franck-Condon factor predictions. The structures, harmonic vibrational frequencies, and the potential energies as a function of bending angle for theÃ 1 B 2 and X 1 A 1 states are predicted using time-dependent density functional theory, complete active space selfconsistent field, and related first-principle calculations. A comparison with isovalent TiO 2 is made.

show abstract

Section: Observationmentioning

confidence: 99%

“…21 Fluorescence decay curves of the 13 bands observed in the LIF spectrum were recorded. The curves resulting from the excitation of theÃ 1 …”

Section: Observationmentioning

confidence: 99%

The visible spectrum of zirconium dioxide, ZrO2

Steimle

Gupta

et al. 2011

The Journal of Chemical Physics

View full text Add to dashboard Cite

show abstract

“…[24] Briefly, the 1064 nm fundamental of a Nd:YAG laser (Continuum, Minilite II, 10 Hz repetition rate and 6 ns pulse width) was focused onto a rotating metallic platinum target through a hole in a CsI window cooled normally to 6 K by means of a closed-cycle helium refrigerator (ARS, 202N (ISOTEC, 99 %) was used without further purification. The infrared absorption spectra of the resulting samples were recorded on a Bruker IFS 66 V spectrometer at 0.5 cm À1 resolution between 4000 and 450 cm À1 using a liquid nitrogen cooled HgCdTe (MCT) detector.…”

Section: Experimental and Computational Methodsmentioning

confidence: 99%

Water Adsorption on Platinum Dioxide and Dioxygen Complex: Matrix Isolation Infrared Spectroscopic and Theoretical Study of Three PtO₂–H₂O Complexes

Gong

Zhou

2010

ChemPhysChem

Self Cite

View full text Add to dashboard Cite

The interactions of water molecule with platinum dioxygen complex and dioxide molecule are investigated by means of matrix isolation infrared spectroscopy and density functional calculations. The platinum atoms reacted with dioxygen to form the previously reported Pt(O(2)) complex. The Pt(O(2)) complex reacted with water molecule to give the Pt(O(2))-H(2)O complex, which was characterized to involve hydrogen bonding between one O atom of Pt(O(2)) and one H atom of H(2)O (structure A). Upon visible light irradiation, the hydrogen bonded Pt(O(2))HOH complex rearranged to another Pt(O(2))-H(2)O isomer (structure B), which involves (O(2))PtOH(2) interaction. The Pt(O(2))-H(2)O complex in structure B can be isomerized to the weakly bound platinum dioxide-water complex (structure C) under UV irradiation.

show abstract

“…[3][4][5][9][10][11][12][13][14][15][16] The reactions of CH 4 with gold clusters and gold-containing bimetallic systemsh ave been extensively investigated. For example, the activation of methane by gold cations, [17] catalytic formation of ethylene from CH 4 mediated by Au 2 + ,a nd AuPd 2 + [18][19][20] have been reported.…”

Section: Introductionmentioning

confidence: 99%

Thermal Conversion of Methane to Formaldehyde Promoted by Gold in AuNbO₃⁺ Cluster Cations

Wang

Zhou

et al. 2015

Chemistry A European J

View full text Add to dashboard Cite

In addition to generation of a methyl radical, formation of a formaldehyde molecule was observed in the thermal reaction of methane with AuNbO3(+) heteronuclear oxide cluster cations. The clusters were prepared by laser ablation and mass-selected to react with CH4 in an ion-trap reactor under thermal collision conditions. The reaction was studied by mass spectrometry and DFT calculations. The latter indicated that the gold atom promotes formaldehyde formation through transformation of an Au-O bond into an Au-Nb bond during the reaction.

show abstract

Spectroscopic and Theoretical Studies of Transition Metal Oxides and Dioxygen Complexes

Cited by 362 publications

References 876 publications

The visible spectrum of zirconium dioxide, ZrO2

The visible spectrum of zirconium dioxide, ZrO2

Water Adsorption on Platinum Dioxide and Dioxygen Complex: Matrix Isolation Infrared Spectroscopic and Theoretical Study of Three PtO₂–H₂O Complexes

Thermal Conversion of Methane to Formaldehyde Promoted by Gold in AuNbO₃⁺ Cluster Cations

Contact Info

Product

Resources

About

Spectroscopic and Theoretical Studies of Transition Metal Oxides and Dioxygen Complexes

Cited by 362 publications

References 876 publications

The visible spectrum of zirconium dioxide, ZrO2

The visible spectrum of zirconium dioxide, ZrO2

Water Adsorption on Platinum Dioxide and Dioxygen Complex: Matrix Isolation Infrared Spectroscopic and Theoretical Study of Three PtO2–H2O Complexes

Thermal Conversion of Methane to Formaldehyde Promoted by Gold in AuNbO3+ Cluster Cations

Contact Info

Product

Resources

About

Water Adsorption on Platinum Dioxide and Dioxygen Complex: Matrix Isolation Infrared Spectroscopic and Theoretical Study of Three PtO₂–H₂O Complexes

Thermal Conversion of Methane to Formaldehyde Promoted by Gold in AuNbO₃⁺ Cluster Cations