NDLI: Infrared Spectra of Protonated Pyrene and Its Neutral Counterpart in Solid para-Hydrogen.

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Infrared Spectra of Protonated Pyrene and Its Neutral Counterpart in Solid para-Hydrogen.

Content Provider	Semantic Scholar
Author	Bahou, Mohammed Wu, Yu-Jong Lee, Yuan-Pern
Copyright Year	2013
Abstract	Protonated polycyclic aromatic hydrocarbons (H(+)PAHs) have been reported to have infrared (IR) bands at wavenumbers near those of unidentified infrared (UIR) emission bands from interstellar objects. We produced 1-C16H11(+) and 1-C16H11 upon electron bombardment during matrix deposition of p-H2 containing pyrene (C16H10) in a small proportion. Intensities of absorption features of 1-C16H11(+) decreased after the matrix was maintained in darkness or irradiated with light at 365 nm, whereas those of 1-C16H11 increased. The observed line wavenumbers and relative intensities of 1-C16H11(+) and 1-C16H11 agree satisfactorily with the scaled vibrational wavenumbers and IR intensities predicted with the B3PW91/6-311++G(2d,2p) method. Our method, being relatively clean with negligible fragmentation, is applicable to larger H(+)PAH; it has the advantages of producing excellent IR spectra covering a broad spectral range with narrow lines and accurate intensities, so that structural identification among various isomers is feasible.
File Format	PDF HTM / HTML
DOI	10.1021/jz400923k
Alternate Webpage(s)	https://ir.nctu.edu.tw/bitstream/11536/22289/1/000320979400001.pdf
PubMed reference number	26283241
Alternate Webpage(s)	https://doi.org/10.1021/jz400923k
Journal	Medline
Volume Number	4
Issue Number	12
Journal	The journal of physical chemistry letters
Language	English
Access Restriction	Open
Content Type	Text
Resource Type	Article

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