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Study of vibrational spectra of polycyclic aromatic hydrocarbons with phenyl side group by Anju Maurya et al. on Monday 28 November Computational study of polycyclic aromatic hydrocarbons (PAHs) with phenyl side group substituted at different positions is reported. The infrared spectral variations due to the position of phenyl substitution, ionization state and the size of the molecules are discussed and possible contribution of phenyl-PAHs to the mid-infrared emission features from astrophysical objects is analyzed. Structurally phenyl group substitution at 2nd position gives more stable species compared to substitution at other positions. Phenyl-PAHs exhibit new aromatic bands near 695 and 741 cm$^{-1}$ (14.4 and 13.5 $mu$m), due to contribution from quintet C-H wag, that compare well with minor features at 14.2 and 13.5 $mu$m observed in several astrophysical objects. Just as in plain PAHs, the C-C stretch vibrational modes ($sim$1600 cm$^{-1}$) have negligible intensity in neutrals, but the cations of all phenyl-PAHs exhibit significantly strong phenyl group C-C stretch peak close to class B type 6.2 $mu$m astrophysical band. In 2-phenylpyrene, it is the neutral molecule that exhibits this strong feature in the 6.2 $mu$m range along with other features that match with sub-features at 6.66 and 6.9 $mu$m, observed in astronomical spectra of some late type objects. The substitution of phenyl side group at solo position shifts the C-C stretch mode of parent PAH close to the region of 6.2 $mu$m astrophysical band. The results indicate possibility of phenyl-PAHs in space and the bottom-up formation of medium sized compact PAHs with phenyl side group in carbon rich cool circumstellar shells. Phenyl-PAHs need to be considered in modelling mid-infrared emission spectra of various astrophysical objects. arXiv: http://arxiv.org/abs/http://arxiv.org/abs/2211.13684v1
Study of vibrational spectra of polycyclic aromatic hydrocarbons with phenyl side group by Anju Maurya et al. on Sunday 27 November Computational study of polycyclic aromatic hydrocarbons (PAHs) with phenyl side group substituted at different positions is reported. The infrared spectral variations due to the position of phenyl substitution, ionization state and the size of the molecules are discussed and possible contribution of phenyl-PAHs to the mid-infrared emission features from astrophysical objects is analyzed. Structurally phenyl group substitution at 2nd position gives more stable species compared to substitution at other positions. Phenyl-PAHs exhibit new aromatic bands near 695 and 741 cm$^{-1}$ (14.4 and 13.5 $mu$m), due to contribution from quintet C-H wag, that compare well with minor features at 14.2 and 13.5 $mu$m observed in several astrophysical objects. Just as in plain PAHs, the C-C stretch vibrational modes ($sim$1600 cm$^{-1}$) have negligible intensity in neutrals, but the cations of all phenyl-PAHs exhibit significantly strong phenyl group C-C stretch peak close to class B type 6.2 $mu$m astrophysical band. In 2-phenylpyrene, it is the neutral molecule that exhibits this strong feature in the 6.2 $mu$m range along with other features that match with sub-features at 6.66 and 6.9 $mu$m, observed in astronomical spectra of some late type objects. The substitution of phenyl side group at solo position shifts the C-C stretch mode of parent PAH close to the region of 6.2 $mu$m astrophysical band. The results indicate possibility of phenyl-PAHs in space and the bottom-up formation of medium sized compact PAHs with phenyl side group in carbon rich cool circumstellar shells. Phenyl-PAHs need to be considered in modelling mid-infrared emission spectra of various astrophysical objects. arXiv: http://arxiv.org/abs/http://arxiv.org/abs/2211.13684v1
Smart Acids want to know: How are demands and supplies trending on crude oil? "It's a question of how much supply is needed and how fast," says Billy "The Piano Man" Grohl who returns to give us a market update heading into the end of the year. Grohl is Product Director of Aromatic Hydrocarbons at Univar Solutions. From crude into fuels, hear how downstream product and price volatility is impacting chemical markets – and what you should do to plan ahead.Smart Acids™ is the source for product insights and current market moves related to chemical and specialty ingredient distribution—breaking it all down one boron at a time. Join hosts Andy Erickson and Chris Ernst for straightforward and honest chat that speaks to the why behind pricing and supply, delivered in a smart, fun and entertaining way.About the hosts: Andy Erickson, director of product marketing, Essential Chemicals, and Chris Ernst, senior director of product marketing, Solvents, converse with guests from chemistry and specialty ingredient backgrounds who are keyed in to manufacturing and markets across industries.
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Explore the dust between the stars - and why it is so important, see how researchers explore molecules on the nanoscale to improve materials, discover why natural extremes are critical to Mediterranean ecosystems, the fate of California Oak trees, and sustaining the heritage of agriculture in California, all on this edition of On Beyond. Series: "On Beyond" [Science] [Show ID: 30667]
Explore the dust between the stars - and why it is so important, see how researchers explore molecules on the nanoscale to improve materials, discover why natural extremes are critical to Mediterranean ecosystems, the fate of California Oak trees, and sustaining the heritage of agriculture in California, all on this edition of On Beyond. Series: "On Beyond" [Science] [Show ID: 30667]
Explore the dust between the stars - and why it is so important, see how researchers explore molecules on the nanoscale to improve materials, discover why natural extremes are critical to Mediterranean ecosystems, the fate of California Oak trees, and sustaining the heritage of agriculture in California, all on this edition of On Beyond. Series: "On Beyond" [Science] [Show ID: 30667]
Explore the dust between the stars - and why it is so important, see how researchers explore molecules on the nanoscale to improve materials, discover why natural extremes are critical to Mediterranean ecosystems, the fate of California Oak trees, and sustaining the heritage of agriculture in California, all on this edition of On Beyond. Series: "On Beyond" [Science] [Show ID: 30667]