Ionic fragmentation products of benzonitrile as important intermediates in the growth of polycyclic aromatic hydrocarbons

Rap, Daniël B.; Schrauwen, Johanna G. M.; Redlich, Britta; Brünken, Sandra

doi:10.1039/d3cp05574d

Phys. Chem. Chem. Phys.

2024

DOI: 10.1039/d3cp05574d

|View full text |Cite

Ionic fragmentation products of benzonitrile as important intermediates in the growth of polycyclic aromatic hydrocarbons

Daniël B. Rap,

Johanna G. M. Schrauwen,

Britta Redlich

et al.

Abstract: In various astronomical environments such as the interstellar medium or (exo)planetary atmospheres, an interplay of bottom-up growth and top-down destruction processes of (polycyclic) aromatic hydrocarbons (PAHs) takes place. To get...

Help me understand this report

Search citation statements

Order By: Relevance

Paper Sections

Select...

Citation Types

Supporting

Mentioning

Contrasting

Year Published

2024

Publication Types

Select...

Article1

Relationship

Self Cite0

Independent1

Authors

Journals

Cited by 1 publication

References 74 publications

(131 reference statements)

Supporting

Mentioning

Contrasting

Order By: Relevance

CN stretches around 4.4 microns dominate the IR absorption spectra of cyano-polycyclic aromatic hydrocarbons

Esposito,

Fortenberry,

Boersma

et al. 2024

Monthly Notices of the Royal Astronomical Society: Letters

View full text Add to dashboard Cite

Anharmonic quantum chemical computations reveal a strong, narrow (width = 0.075 μm) band in the 4.3–4.5 μm region of the absorption spectra of the cyano-substituted polycyclic aromatic hydrocarbons (CN-PAHs) cyanonaphthalene, cyanoanthracene, cyanophenanthrene, and cyanopyrene. This narrow window with intense IR lines implies that CN-PAHs of various shapes and sizes offer little variation in both wavelength and intensity in this region. Subsequently, this band can be used as a tracer for CN-PAHs. The distinct features making up the band are assigned to mixed vibrational states consisting of the CN stretch fundamental and various combination bands, including in-plane CH bends, CC skeletal bends, and CC skeletal breathing motions. The extraordinarily large intrinsic intensity of the fundamental CN stretch is redistributed to nearby states via anharmonic coupling, which is readily captured when using second order vibrational perturbation theory with resonance polyad matrices. This redistribution of intensity leads to a complex spectrum. The intense bands in this wavelength region may contribute to the baseline continuum and undulating macroscopic structure seen in recent JWST NIRSpec observations.

show abstract

CN stretches around 4.4 microns dominate the IR absorption spectra of cyano-polycyclic aromatic hydrocarbons

Esposito,

Fortenberry,

Boersma

et al. 2024

Monthly Notices of the Royal Astronomical Society: Letters

View full text Add to dashboard Cite

show abstract

scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.

Contact Info

hi@scite.ai

10624 S. Eastern Ave., Ste. A-614

Henderson, NV 89052, USA

Blog Terms and Conditions API Terms Privacy Policy Contact Cookie Preferences Do Not Sell or Share My Personal Information

Made with 💙 for researchers

Part of the Research Solutions Family.

Ionic fragmentation products of benzonitrile as important intermediates in the growth of polycyclic aromatic hydrocarbons

Abstract: In various astronomical environments such as the interstellar medium or (exo)planetary atmospheres, an interplay of bottom-up growth and top-down destruction processes of (polycyclic) aromatic hydrocarbons (PAHs) takes place. To get...

Cited by 1 publication

References 74 publications

CN stretches around 4.4 microns dominate the IR absorption spectra of cyano-polycyclic aromatic hydrocarbons

CN stretches around 4.4 microns dominate the IR absorption spectra of cyano-polycyclic aromatic hydrocarbons

Contact Info

Product

Resources

About