Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile.

The journal of physical chemistry. A

PubMedID: 24911139

Betz T, Zinn S, Graneek JB, Schnell M. Nuclear Quadrupole Coupling Constants of Two Chemically Distinct Nitrogen Atoms in 4-Aminobenzonitrile. J Phys Chem A. 2014;.
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 related molecules, especially with respect to the absence of double-fluorescence effects in 4-aminobenzonitrile. In addition rhe 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.