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Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy.
J Phys Chem Lett 2019; 10(10):2408-2413JP

Abstract

Using a combination of broadband and cavity Fourier transform microwave spectroscopies, and newly developed analysis and assignment tools, the discharge products of benzene have been extensively studied in the 2-18 GHz frequency range. More than 450 spectral features with intensities greater than 6σ of the noise RMS were identified, of which of roughly four-fifths (82%) constituting 90% of the total spectral intensity were assigned to 38 species previously detected in the radio band, and nine entirely new hydrocarbon molecules were identified. The new species include both branched and chain fragments of benzene, high energy C6H6 isomers, and larger molecules such as phenyldiacetylene and isomers of fulvenallene; taken together they account for roughly half of the number of observed transitions and 51% of the spectral line intensity. Transitions from vibrationally excited states of several molecules were also identified in the course of this investigation. A key aspect of the present analysis was implementation of a rapid and efficient workflow to assign spectral features from known molecules and to identify line progressions by pattern recognition techniques.

Authors+Show Affiliations

Harvard-Smithsonian Center for Astrophysics , 60 Garden Street , Cambridge , Massachusetts 02138 , United States.Harvard-Smithsonian Center for Astrophysics , 60 Garden Street , Cambridge , Massachusetts 02138 , United States.

Pub Type(s)

Journal Article

Language

eng

PubMed ID

31021635

Citation

Lee, Kin Long Kelvin, and Michael McCarthy. "Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy." The Journal of Physical Chemistry Letters, vol. 10, no. 10, 2019, pp. 2408-2413.
Lee KLK, McCarthy M. Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy. J Phys Chem Lett. 2019;10(10):2408-2413.
Lee, K. L. K., & McCarthy, M. (2019). Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy. The Journal of Physical Chemistry Letters, 10(10), pp. 2408-2413. doi:10.1021/acs.jpclett.9b00586.
Lee KLK, McCarthy M. Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy. J Phys Chem Lett. 2019 May 16;10(10):2408-2413. PubMed PMID: 31021635.
* Article titles in AMA citation format should be in sentence-case
TY - JOUR T1 - Study of Benzene Fragmentation, Isomerization, and Growth Using Microwave Spectroscopy. AU - Lee,Kin Long Kelvin, AU - McCarthy,Michael, Y1 - 2019/04/30/ PY - 2019/4/26/pubmed PY - 2019/4/26/medline PY - 2019/4/26/entrez SP - 2408 EP - 2413 JF - The journal of physical chemistry letters JO - J Phys Chem Lett VL - 10 IS - 10 N2 - Using a combination of broadband and cavity Fourier transform microwave spectroscopies, and newly developed analysis and assignment tools, the discharge products of benzene have been extensively studied in the 2-18 GHz frequency range. More than 450 spectral features with intensities greater than 6σ of the noise RMS were identified, of which of roughly four-fifths (82%) constituting 90% of the total spectral intensity were assigned to 38 species previously detected in the radio band, and nine entirely new hydrocarbon molecules were identified. The new species include both branched and chain fragments of benzene, high energy C6H6 isomers, and larger molecules such as phenyldiacetylene and isomers of fulvenallene; taken together they account for roughly half of the number of observed transitions and 51% of the spectral line intensity. Transitions from vibrationally excited states of several molecules were also identified in the course of this investigation. A key aspect of the present analysis was implementation of a rapid and efficient workflow to assign spectral features from known molecules and to identify line progressions by pattern recognition techniques. SN - 1948-7185 UR - https://www.unboundmedicine.com/medline/citation/31021635/Study_of_Benzene_Fragmentation,_Isomerization,_and_Growth_Using_Microwave_Spectroscopy L2 - https://dx.doi.org/10.1021/acs.jpclett.9b00586 DB - PRIME DP - Unbound Medicine ER -