Abstract
The rotational spectrum of 4-aminobenzonitrile in the gas phase between 2 and 8.5 GHz is reported. Due to the two chemically distinct nitrogen atoms, the observed transitions showed a rich hyperfine structure. From the determination of the nuclear quadrupole coupling constants, information about the electronic environment of these atoms could be inferred. The results are compared to data for related molecules, especially with respect to the absence of dual fluorescence in 4-aminobenzonitrile. In addition, the two-photon ionization spectrum of this molecule was recorded using a time-of-flight mass spectrometer integrated into the setup. This new experimental apparatus is presented here for the first time.
Highlights
4-Aminobenzonitrile (ABN) can be categorized as a parasubstituted benzonitrile (Figure 1)
The respective nuclear quadrupole coupling constants are presented here. They allow for the investigation of the electronic environment of the molecule in the vicinity of the nitrogen atoms, which is of particular interest when ABN is compared to other parasubstituted benzonitriles showing dual fluorescence
Previous microwave spectroscopy studies investigated the differences between dimethylaniline (DMA) and DMABN.[11]
Summary
4-Aminobenzonitrile (ABN) can be categorized as a parasubstituted benzonitrile (Figure 1). The two chemically distinct nitrogen atoms of the respective amino and nitrile groups of this molecule lead to a hyperfine structure of each rotational transition due to nuclear quadrupole coupling. Determining their individual quadrupole interactions is challenging, due to the complicated, combined splitting effect of the two nuclei. The respective nuclear quadrupole coupling constants are presented here They allow for the investigation of the electronic environment of the molecule in the vicinity of the nitrogen atoms, which is of particular interest when ABN is compared to other parasubstituted benzonitriles showing dual fluorescence. ABN is especially suited for this purpose because of its advantageous dipole moment-to-mass ratio and its efficient detection after ionization with a mass spectrometer, which is characterized in this work as well
Sign-in/Register to view highlights & summary Sign-in/Register to access full text options 
Talk to us
Join us for a 30 min session where you can share your feedback and ask us any queries you have
Schedule a callDisclaimer: All third-party content on this website/platform is and will remain the property of their respective owners and is provided on "as is" basis without any warranties, express or implied. Use of third-party content does not indicate any affiliation, sponsorship with or endorsement by them. Any references to third-party content is to identify the corresponding services and shall be considered fair use under The CopyrightLaw.
