Investigation of Aerosol Formation During Benzaldehyde Photolysis

Dubtsov, S.N.; Gg, Dultseva; En, Dultsev; Gi, Skubnevskaya

doi:10.1021/jp0555394

Cited by 16 publications

(19 citation statements)

References 20 publications

Supporting

Mentioning

Contrasting

Order By: Relevance

“…The S 4 state reported in previous experiments is likely the S 5 state calculated here as the calculated S 4 and S 6 states have small oscillator strengths. Upon irradiation at 248 or 266 nm, C 6 H 5 CHO is excited to the S 2 state, whereas irradiation at 193 nm might produce excitation mainly to the S 5 state Six possible channels for decomposition, Reactions (1)-(4), (8), and (9), are considered on the ground-state singlet PES for the initial reaction of C 6 H 5 CHOA C H T U N G T R E N N U N G ( 1 A ' ). C 6 H 5 CHO !…”

Section: Potential-energy Surface For the Reactionmentioning

confidence: 99%

“…[7] In the atmosphere, the main destruction of aromatic aldehydes occurs by photodissociation with solar radiation and reactions with OH, NO 3 , and O 3 . The former process plays an important role in aerosol formation, [8] whereas the latter reactions in the atmosphere lead to formation of benzoylperoxyradicals, C 6 H 5 C(O)OO, an important intermediate of atmospheric pollutants. [3,6,9] The ultraviolet (UV) spectra of gaseous C 6 H 5 CHO have been studied experimentally [10][11][12][13] and theoretically.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Photodissociation Dynamics of Benzaldehyde (C₆H₅CHO) at 266, 248, and 193 nm

Bagchi

Huang

et al. 2011

Chemistry An Asian Journal

View full text Add to dashboard Cite

The photodissociation of gaseous benzaldehyde (C(6)H(5)CHO) at 193, 248, and 266 nm using multimass ion imaging and step-scan time-resolved Fourier-transform infrared emission techniques is investigated. We also characterize the potential energies with the CCSD(T)/6-311+G(3df,2p) method and predict the branching ratios for various channels of dissociation. Upon photolysis at 248 and 266 nm, two major channels for formation of HCO and CO, with relative branching of 0.37:0.63 and 0.20:0.80, respectively, are observed. The C(6)H(5)+HCO channel has two components with large and small recoil velocities; the rapid component with average translational energy of approximately 25 kJ mol(-1) dominates. The C(6)H(6)+CO channel has a similar distribution of translational energy for these two components. IR emission from internally excited C(6)H(5)CHO, ν(3) (v=1) of HCO, and levels v≤2, J≤43 of CO are observed; the latter has an average rotational energy of approximately 13 kJ mol(-1) and vibrational energy of approximately 6 kJ mol(-1). Upon photolysis at 193 nm, similar distributions of energy are observed, except that the C(6)H(5)+HCO channel becomes the only major channel with a branching ratio of 0.82±0.10 and an increased proportion of the slow component; IR emission from levels ν(1) (v=1) and ν(3) (v=1 and 2) of HCO and v≤2, J≤43 of CO are observed; the latter has an average energy similar to that observed in photolysis at 248 nm. The observed product yields at different dissociation energies are compared to statistical-theory predicted results based on the computed singlet and triplet potential-energy surfaces.

show abstract

Section: Potential-energy Surface For the Reactionmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Photodissociation Dynamics of Benzaldehyde (C₆H₅CHO) at 266, 248, and 193 nm

Bagchi

Huang

et al. 2011

Chemistry An Asian Journal

View full text Add to dashboard Cite

show abstract

“…The Smoluchowski equation was solved for free-molecular collisions of monomers and clusters, similar to those described by Rao and McMurry. 12 An effective algorithm for solving the coagulation equation has been reported earlier by Dubtsov et al 9,10,13 In the present study, this model was modified to account for the influence of t 1 (time gap between the end of irradiation and the moment of particles detection) and diffusion losses of monomer and clusters on the walls of the reactor and pipelines. Similarly to Rao and McMurry, 12 Under these conditions, the dynamics of the particle concentration is described by the following equations where F(t) ) F ) constant at t e t 0 , F(t) ) 0 at t 0 e t e t 0 + t 1 (no monomer formation during t 1 ), ij is the collision constant for clusters, consisting of i and j monomers, N k is the concentration of clusters, consisting of k monomers, t 0 is the irradiation time, and t 1 is the retention time.…”

Section: Numerical Modeling Of Aerosol Formation Kineticsmentioning

confidence: 99%

“…The monomer formation rate value was calculated by a nonlinear least-squares fitting of the calculated curves with experimental data by a technique similar to that described by Dubtsov et al 9,10 Foreign gas affects the rate of monomer formation (F). Thus, in N 2 , F ) 1.48 × 10 7 cm -3 s -1 , which is more than in the N 2 + O 2 mixture (4:1) F ) 0.742 × 10 7 cm -3 s -1 , when water concentration is less than 5.0 × 10 17 molecule/cm 3 .…”

Section: Numerical Modeling Of Aerosol Formation Kineticsmentioning

confidence: 99%

New Nanoparticle Formation under UV Impact on Acetaldehyde Vapor in Nitrogen and Air Flow

et al. 2004

View full text Add to dashboard Cite

This paper deals with the study of the kinetics of photolysis and photonucleation of acetaldehyde (AA) vapor in air and in nitrogen along with physical and chemical characteristics of the formed aerosol particles. Free radicals accompanying photonucleation were identified using the electron spin resonance spin-trapping technique. Numerical modeling of the photonucleation kinetics of AA, based on experimental results, was carried out. Rate of generation of primary products, leading to the nanoparticles, and the aerosol yield were evaluated. Chemical mechanism of stages leading to photonucleation in this system was proposed.

show abstract

“…Nitrones are the most frequently used spin traps, and spin trap adducts formed in their case are called nitroxides. Dubtsov et al (2006) used α-phenyl nitrone (PN); 1,2,2,5,5-pentamethyl-3-imidazoline-3-oxide (PMIO); and 3-hydroxyl-2-3- Figures…”

Section: Printer-friendly Versionmentioning

confidence: 99%

Technical Note: Detection and identification of radical species formed from α-pinene/ozone reaction using DMPO spin trap

Pavlovic

Hopke

2009

Preprint

View full text Add to dashboard Cite

The reactions of ozone with monoterpenes proceed via the formation of multiple oxygen-and carbon-centered free radical species. These radical species are highly reactive and thus, have generally not been measureable. A method for their detection and characterization is needed to preserve these radicals for a sufficiently 5 long time to permit analyzes to be performed. Radical-addition reactions, also called spin trapping techniques, allow the detection of short-lived radicals. This approach has been applied to products from the α-pinene/ozone reaction. Secondary organic aerosol (SOA) from a reaction chamber was collected on quartz fiber filters and extracted with a solution of 5,5-dimethyl-1-pyrroline-N-oxide (DMPO) (spin trap) followed 10 by analysis with ion-trap tandem mass spectrometry (MS n ) using electrospray ionization (ESI) in the positive scan mode. The DMPO adducts with radical species appear as positive ions [DMPO−R+H] + , [DMPO−OR+H] + and [DMPO−O−OR+H] + in full MS spectra of the samples. Tandem mass spectrometry (MS 2 ) was performed to identify the radical species. The DMPO adducts with the C-centered radical species 15 [DMPO−R+H] + are characterized by m/z 114 [DMPO+H] + in the MS 2 spectra and with peaks that represent the loss of [DMPO+H] + . The DMPO adducts with O-centered radical species (RO· and ROO·) are identified by m/z 130 [DMPO−OH+H] + and m/z 146[DMPO−O−OH+H] + , respectively, and with peaks that correspond to the loss of those adducts. DMPO was also able to capture OH radicals from the particle phase, and 20 the product ion fragmentation confirmed DMPO/OH structure providing evidence for particle-bound OH radicals.

show abstract

Investigation of Aerosol Formation During Benzaldehyde Photolysis

Cited by 16 publications

References 20 publications

Photodissociation Dynamics of Benzaldehyde (C₆H₅CHO) at 266, 248, and 193 nm

Photodissociation Dynamics of Benzaldehyde (C₆H₅CHO) at 266, 248, and 193 nm

New Nanoparticle Formation under UV Impact on Acetaldehyde Vapor in Nitrogen and Air Flow

Technical Note: Detection and identification of radical species formed from α-pinene/ozone reaction using DMPO spin trap

Contact Info

Product

Resources

About

Investigation of Aerosol Formation During Benzaldehyde Photolysis

Cited by 16 publications

References 20 publications

Photodissociation Dynamics of Benzaldehyde (C6H5CHO) at 266, 248, and 193 nm

Photodissociation Dynamics of Benzaldehyde (C6H5CHO) at 266, 248, and 193 nm

New Nanoparticle Formation under UV Impact on Acetaldehyde Vapor in Nitrogen and Air Flow

Technical Note: Detection and identification of radical species formed from α-pinene/ozone reaction using DMPO spin trap

Contact Info

Product

Resources

About

Photodissociation Dynamics of Benzaldehyde (C₆H₅CHO) at 266, 248, and 193 nm

Photodissociation Dynamics of Benzaldehyde (C₆H₅CHO) at 266, 248, and 193 nm