Ultraviolet and Infrared Photodissociation of Si+(C6H6)nand Si+(C6H6)nAr Clusters

Jb, Jaeger; Ed, Pillai; Td, Jaeger; Ma, Duncan

doi:10.1021/jp044798a

Cited by 17 publications

(13 citation statements)

References 97 publications

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“…Interestingly, the η 2 coordination mode was also found in the case of [FePAH] 0 complexes (Simon & Joblin 2007) and [CuPAH] + complexes (Dunbar 2002), and the η 3 coordination mode in the case of [SiPAH] 0/+ , with respect to the most stable dissociation products (Si( 3 P) + PAH) and (Si( 3 P) + PAH + ) (corresponding to ΔH(0 K)) and with respect to (Si + ( 2 P) + PAH) (corresponding to ΔH (0 K)) at the B3LYP/D95++** level of theory. (Jaeger et al 2005). These coordination modes imply both a curvature of the edge of the C-skeleton and ring distortions, which had been already observed in the case of [TM-C 6 H 6 ] + (TM: transition metals) calculated structures (Jaeger et al 2004).…”

Section: Thermodynamics and Structuresmentioning

confidence: 99%

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Signature of [SiPAH]⁺ π-complexes in the interstellar medium

Joalland

Simon

Marsden

et al. 2008

A&A

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Aims. We investigate the presence of silicon atoms adsorbed on the surface of interstellar polycyclic aromatic hydrocarbons (PAHs) to form SiPAH π-complexes. Methods. We used quantum chemistry calculations to obtain the structural, thermodynamic, and mid-IR properties of neutral and cationic SiPAH π-complexes. Results. The binding energy was found to be at least 1.5 eV for [SiPAH] + complexes, whereas it is ∼0.5 eV for their neutral counterparts. From the spectral analysis of the calculated IR spectra, we found that the coordination of Si to PAH + does not strongly affect the intensities of the PAH + spectra, but systematically introduces blueshifts of the C-C in-plane and the C-H out-of-plane bands. Conclusions. The thermodynamic data calculated for [SiPAH]+ complexes show that these species are stable and can be easily formed by radiative association of Si + and PAH species that are known to be abundant in photodissociation regions. Their mid-IR fingerprints show features induced by the coordination of Si that could account for (i) the blueshifted position of the 6.2 μm AIB and (ii) the presence of satellite bands observed on the blue side of the 6.2 and 11.2 μm AIBs. From such an assignment, we can deduce that typically 1% of the cosmic Si appears to be attached to PAHs.

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Section: Thermodynamics and Structuresmentioning

confidence: 99%

“…Srinivas et al (1992) and Jaeger et al (2005) demonstrated theoretically and experimentally that the π-system complex [SiC 6 H 6 ] + is more stable than all the other isomers. Experimental studies on [SiPAH] + complexes are scarce.…”

Section: Introductionmentioning

confidence: 99%

Signature of [SiPAH]⁺ π-complexes in the interstellar medium

Joalland

Simon

Marsden

et al. 2008

A&A

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“…1 Up to now, a lot of institutes and universities have studied photochemical properties of organic compounds, such as photodissociation and photocatalytic activities of organic compounds. [2][3][4][5][6][7][8][9][10][11][12][13] Nowadays, photocatalysis is a rapidly expanding technology for wastewater treatment. The photocatalytic degradation process of organic compounds has several advantages such as complete mineralization, nonexistent waste disposal problem, low cost, mild temperature conditions, and mild pressure conditions.…”

Section: Introductionmentioning

confidence: 99%

Structural Property and Catalytic Activity of New In₂YbSbO₇ and Gd₂YbSbO₇ Nanocatalysts under Visible Light Irradiation

Luan

Wang

et al. 2010

J. Phys. Chem. C

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In 2 YbSbO 7 and Gd 2 YbSbO 7 were prepared first, while the structural and photocatalytic properties of them were investigated. In 2 YbSbO 7 and Gd 2 YbSbO 7 were crystallized with pyrochlore-type structure, cubic crystal system by space group Fd3m. The lattice parameters a for In 2 YbSbO 7 and Gd 2 YbSbO 7 were 10.340277 and 10.639527 Å. The band gap energies of In 2 YbSbO 7 and Gd 2 YbSbO 7 were 2.361 and 2.469 eV. In 2 YbSbO 7 and Gd 2 YbSbO 7 could photodegrade rhodamine B under visible light irradiation and they owned higher catalytic activity compared with Bi 2 InTaO 7 . Furthermore, In 2 YbSbO 7 showed higher catalytic activity compared with Gd 2 YbSbO 7 . The photocatalytic degradation of rhodamine B with In 2 YbSbO 7 , Gd 2 YbSbO 7 and Bi 2 InTaO 7 followed the first-order reaction kinetics, and the first-order rate constant was 0.02466, 0.01430, and 0.00329 min -1 . After visible light irradiation for 235 and 255 min with In 2 YbSbO 7 and Gd 2 YbSbO 7 as catalysts, complete removal and mineralization of rhodamine B was observed. The photocatalytic degradation pathway of rhodamine B was obtained in this experiment.

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“…[1][2][3][4][5][6][7][8][9][10][11][12][13][14][15][16] It is of primary interest in cluster research as it yields insight into the energy flow and fragmentation mechanisms of photoexcited cluster ions. 1 In particular, when a cluster includes diatomic ion as a chromophore, photoexcitation can bring about fission of the chromophore into two atomic units which are solvated subsequently.…”

Section: Introductionmentioning

confidence: 99%

Photoinduced evaporation of mass-selected aniline+(water)n (n=4–20) clusters

Nam

Park

Lee

et al. 2007

The Journal of Chemical Physics

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Photofragmentation of mass-selected aniline(+)(water)n (An(+)Wn, n=4-20) clusters is investigated over photon energies ranging from 1.65 to 4.66 eV by linear tandem time-of-flight mass spectrometry. The aniline ring turns out to survive irradiation of photons, and most of the absorbed photon energy flows to the hydrogen-bonding networks to be used up for liberation of water molecules. The average number of ejected water molecules measured as a function of photon energy reveals that the loss of water molecules is a photoevaporation process. The distributions of internal energies for parent ions and binding energies of water molecules are estimated from the plots of photofragment branching ratio versus photon energy, which give nice Gaussian fits. Also, density functional theory calculations are performed to obtain optimized structures of isomers for An(+)Wn clusters and binding energies. The authors find that the An(+)W6 cluster has a highly symmetric structure and its binding energy in An(+)W6-->An(+)W5+W stands out. This is in line with the experimental results showing that n=6 is a magic number in the mass distribution and An(+)W6 is relatively stable in metastable decay.

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Ultraviolet and Infrared Photodissociation of Si⁺(C₆H₆)_nand Si⁺(C₆H₆)_nAr Clusters

Cited by 17 publications

References 97 publications

Signature of [SiPAH]⁺ π-complexes in the interstellar medium

Signature of [SiPAH]⁺ π-complexes in the interstellar medium

Structural Property and Catalytic Activity of New In₂YbSbO₇ and Gd₂YbSbO₇ Nanocatalysts under Visible Light Irradiation

Photoinduced evaporation of mass-selected aniline+(water)n (n=4–20) clusters

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Ultraviolet and Infrared Photodissociation of Si+(C6H6)nand Si+(C6H6)nAr Clusters

Cited by 17 publications

References 97 publications

Signature of [SiPAH]+ π-complexes in the interstellar medium

Signature of [SiPAH]+ π-complexes in the interstellar medium

Structural Property and Catalytic Activity of New In2YbSbO7 and Gd2YbSbO7 Nanocatalysts under Visible Light Irradiation

Photoinduced evaporation of mass-selected aniline+(water)n (n=4–20) clusters

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Ultraviolet and Infrared Photodissociation of Si⁺(C₆H₆)_nand Si⁺(C₆H₆)_nAr Clusters

Signature of [SiPAH]⁺ π-complexes in the interstellar medium

Signature of [SiPAH]⁺ π-complexes in the interstellar medium

Structural Property and Catalytic Activity of New In₂YbSbO₇ and Gd₂YbSbO₇ Nanocatalysts under Visible Light Irradiation