Infrared laser multiphoton dissociation of tetramethyldioxetane: direct observation of triplet acetone

Haas, Yehuda; Yahav, Giora

doi:10.1021/ja00483a040

Cited by 25 publications

(5 citation statements)

References 3 publications

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“…Pt2(pcp)44" + e* -Pt2(pcp)45" (5) and Pt2(pcp)45" will undergo coproportionation at a rate approaching diffusion control, the two complexes can coexist in this solution because their low concentrations cause the rate of recombination back to Pt2(pcp)44~t o be sufficiently slow for their observation.…”

Section: Resultsmentioning

confidence: 99%

Triplet excited-state chemistry of diplatinum(II) complexes: comparative spectroscopy and quenching rate constants between the tetrakis(.mu.-pyrophosphito)diplatinate(II) and the tetrakis[.mu.-methylenebis(phosphonito)]diplatinate(II) tetraanions

Roundhill¹,

Shen²,

King³

et al. 1988

J. Phys. Chem.

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Section: Resultsmentioning

confidence: 99%

Triplet excited-state chemistry of diplatinum(II) complexes: comparative spectroscopy and quenching rate constants between the tetrakis(.mu.-pyrophosphito)diplatinate(II) and the tetrakis[.mu.-methylenebis(phosphonito)]diplatinate(II) tetraanions

Roundhill¹,

Shen²,

King³

et al. 1988

J. Phys. Chem.

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“…The gas phase acetone T 1 f S 0 phosphorescent emission maximum is measured as 2.70 eV (460 nm). 55 There is no experimental spectrum of acetone T 1 f S 0 emission in water. For comparison, the T 1 f S 0 emission maximum of acetone in neat acetone is about 2.82 eV (440 nm), 56 blue-shifted by 0.12 eV.…”

Section: Resultsmentioning

confidence: 99%

“…The gas phase acetone T 1 → S 0 phosphorescent emission maximum is measured as 2.70 eV (460 nm) . There is no experimental spectrum of acetone T 1 → S 0 emission in water.…”

Section: Resultsmentioning

confidence: 99%

Analytic Energy Gradient in Combined Second-Order Møller–Plesset Perturbation Theory and Polarizable Force Field Calculation

2011

J. Phys. Chem. A

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Second-order Møller-Plesset perturbation theory (MP2) is used to describe electronic correlation on the basis of Hartree-Fock (HF) variational calculations that incorporate induced dipole polarizable force fields (i.e., QM/MMpol style HF and MP2). The Z-vector equations for regular closed shell and open shell MP2 methods (RMP2, ZAPT2, and UMP2) are extended to include induced dipole contributions to determine the MP2 response density so that nuclear gradient and other properties can be efficiently evaluated. A better estimation of the induced dipole polarization energy can be obtained using the MP2 relaxed density. QM/MMpol style MP2 molecular dynamics simulations are performed for the ground state and first triplet state of acetone solvated by 1024 polarizable water molecules. A switching function is used to ensure energy conservation in QM/MM simulation under periodic boundary condition.

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“…1,2 The lifetime of the fluorescence depends primarily upon the efficiency of the intersystem crossing to the triplet state. 7,8 The intensity of the fluorescence can be used to calculate the concentration of the acetone. Quantitative data is obtained by relating the signal from the fluorescence to the number density of the acetone molecules.…”

Section: Introductionmentioning

confidence: 99%

Measurement of Liquid Acetone Fluorescence and Phosphorescence for Two-Phase Imaging

Tran

Kochar

Seitzman

2005

43rd AIAA Aerospace Sciences Meeting and Exhibit

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The fluorescence and phosphorescence from liquid acetone was studied to aid the development of quantitative mixing measurements in liquid-fueled systems. The timeresolved spectrum of the acetone fluorescence and phosphorescence was captured under typical operating conditions using two excitation wavelengths (266 and 285 nm). A chamber of liquid acetone was purged and pressurized with nitrogen gas for various durations before the measurements. The lifetime for phosphorescence from liquid acetone was found to vary from <175 ns to 3.5 µs, depending on the duration of the N 2 pressurization, the detection wavelength and the excitation wavelength. The N 2 pressurization presumably removes dissolved O 2 and shows little enhancement in the overall lifetime beyond 24 hours in the current setup. The measured phosphorescence lifetimes increased with detection wavelength, which is related to the observed red shift in the phosphorescence spectra with delay time after the laser pulse. The phosphorescence to fluorescence ratio was measured to be 0.035 for 266 nm excitation and 0.080 for 285 nm excitation. The overall short lifetimes and low phosphorescence signal are related to the vibrational distribution established in the triplet state for the different excitation wavelengths.

show abstract

Infrared laser multiphoton dissociation of tetramethyldioxetane: direct observation of triplet acetone

Cited by 25 publications

References 3 publications

Triplet excited-state chemistry of diplatinum(II) complexes: comparative spectroscopy and quenching rate constants between the tetrakis(.mu.-pyrophosphito)diplatinate(II) and the tetrakis[.mu.-methylenebis(phosphonito)]diplatinate(II) tetraanions

Triplet excited-state chemistry of diplatinum(II) complexes: comparative spectroscopy and quenching rate constants between the tetrakis(.mu.-pyrophosphito)diplatinate(II) and the tetrakis[.mu.-methylenebis(phosphonito)]diplatinate(II) tetraanions

Analytic Energy Gradient in Combined Second-Order Møller–Plesset Perturbation Theory and Polarizable Force Field Calculation

Measurement of Liquid Acetone Fluorescence and Phosphorescence for Two-Phase Imaging

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