Fluorescence excitation and resolved emission spectra of supersonically cooled Al2O

Cai, M. F.; Carter, Christopher C.; Miller, Terry A.; Bondybey, V. E.

doi:10.1063/1.461427

Cited by 37 publications

(17 citation statements)

References 23 publications

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“…The aluminum oxide molecules are studied extensively both experimentally [1][2][3][4][5][6][7][8][9][10][11] and theoretically [12][13][14][15][16][17][18][19][20][21][22][23][24][25][26][27][28][29][30][31] in the last years due to their importance for understanding different properties of ceramic materials and their catalytic activity. Despite of this, the properties of some simple molecules are still under discussion.…”

Section: Introductionmentioning

confidence: 99%

Accurate theoretical IR and Raman spectrum of Al2O2 and Al2O3 molecules

Mitin

2011

Struct Chem

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The accurate harmonic vibration frequencies together with the infrared (IR) and Raman intensities of the most stable conformers of Al 2 O 2 and Al 2 O 3 molecules have been calculated by the density functional theory (DFT) method with B3LYP exchange-correlation potential and using a set of the augmented correlated consistent basis sets up to quintuple order. The anharmonic vibration frequencies of the non-linear Al 2 O 2 molecule have also been calculated. The obtained equilibrium geometrical parameters, harmonic and anharmonic vibration frequencies along with the IR and Raman intensities good converge to their limits with increasing the size of the used basis set. A comparison of the calculated harmonic and anharmonic vibrational frequencies with the available experimental ones points out that the small differences between the calculated harmonic and experimental frequencies can be further substantially reduced when calculations of the anharmonic vibrational frequencies will be available for all types of molecular geometries.

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Section: Introductionmentioning

confidence: 99%

Accurate theoretical IR and Raman spectrum of Al2O2 and Al2O3 molecules

Mitin

2011

Struct Chem

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“…For the triatomic molecule, Al 2 O, spectroscopic studies about its electronic structures have been studied [20][21][22][23][24][25]; but assignment of the vibrational structures in terms of electronic states has not been completed due to its complexity. Fluorescence excitation of gas-phase Al 2 O in laser-induced vapor has been conducted experimentally by Cai [21]; and a broad range fluorescence emission in the range of 38000-40200 cm −1 (248-263 nm) from 1 Π u → X 1 Σ g + electronic structure transition was observed with strong emission bands at around 38200-38400 cm −1 (260-261 nm), 39000-39600 cm −1 (252-266 nm), and 39800-40000 cm −1 (250-251 nm). In this study, several excitation wavelengths in the referenced fluorescence spectral ranges were used to resonantly excite fluorescence emission of Al 2 O.…”

Section: Resonance Fluorescence Excitation Of Al 2 Omentioning

confidence: 99%

Time-resolved resonance fluorescence spectroscopy for study of chemical reactions in laser-induced plasmas

Liu¹,

Deng²,

Fan³

et al. 2017

Opt. Express

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Identification of chemical intermediates and study of chemical reaction pathways and mechanisms in laser-induced plasmas are important for laser-ablated applications. Laser-induced breakdown spectroscopy (LIBS), as a promising spectroscopic technique, is efficient for elemental analyses but can only provide limited information about chemical products in laser-induced plasmas. In this work, time-resolved resonance fluorescence spectroscopy was studied as a promising tool for the study of chemical reactions in laser-induced plasmas. Resonance fluorescence excitation of diatomic aluminum monoxide (AlO) and triatomic dialuminum monoxide (AlO) was used to identify these chemical intermediates. Time-resolved fluorescence spectra of AlO and AlO were used to observe the temporal evolution in laser-induced Al plasmas and to study their formation in the Al-O chemistry in air.

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“…It has been detected by fluorescence spectroscopy in the gas phase [44] and also by IR spectroscopy in the gas phase [45].…”

Section: Aluminum Oxidesmentioning

confidence: 99%

Thermochemistry of aluminum species for combustion modeling from Ab Initio molecular orbital calculations

Swihart

Catoire

2000

Combustion and Flame

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High accuracy ab initio methods for computational thermochemistry have been applied to aluminum compounds expected to be present during combustion of aluminum particles. The computed enthalpies of formation at 298.15 K agree well with experimental values from the literature for AlCl, AlCl 3 , AlO, AlOAl, linear OAlO, planar Al 2 O 2 , AlOH, AlH, and AlN. The agreement is fair for AlCl 2 . Major revisions to the recommended thermochemistry must be considered for OAlCl, OAlH, OAlOH, and AlC. This is not surprising since the thermodynamic data for OAlCl, OAlH, OAlOH, and AlC are given in the literature as rough estimates. Calculated thermochemical data are also presented for several species never studied experimentally, including AlH 2 , AlH 3 , AlOO, cyclic-AlO 2 , linear AlOAlO, AlHCl, AlHCl 2 , and others. Based on the performance of the CBS-Q and G2 methods observed in other systems, the calculated enthalpies of formation would be expected to be accurate to within Ϯ1 to 2 kcal mol Ϫ1 . However, relatively large differences between the results from the CBS-Q and G2 methods for the aluminum oxides indicate that the uncertainties are slightly larger for these compounds. The thermochemistry proposed here is shown to predict substantially different equilibrium composition from the thermochemistry previously available in the literature.

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Fluorescence excitation and resolved emission spectra of supersonically cooled Al2O

Cited by 37 publications

References 23 publications

Accurate theoretical IR and Raman spectrum of Al2O2 and Al2O3 molecules

Accurate theoretical IR and Raman spectrum of Al2O2 and Al2O3 molecules

Time-resolved resonance fluorescence spectroscopy for study of chemical reactions in laser-induced plasmas

Thermochemistry of aluminum species for combustion modeling from Ab Initio molecular orbital calculations

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