MICROWAVE SPECTRUM AND GEOMETRY OF H$_{3}$P$\cdots$AgI

Author Institution: School of Chemistry, University of Bristol, Bristol, BS8 1TS, U.K.The pure rotational spectrum of the vibrational ground state of H$_{3}$P$\cdots$AgI has been measured by chirped-pulse FTMW spectroscopy. The complex is generated via laser ablation (532 nm) of a silver rod in the presence of CF$_{3}$I, PH$_{3}$ and argon. It is subsequently stabilized and interrogated in the cold environment of a supersonic jet. The rotational constant, {\it{B}}$_{0}$, and the centrifugal distortion constant, {\it{D}}$_{\it{J}}$, have been measured for H$_{3}$P$\cdots$$^{107}$AgI and H$_{3}$P$\cdots$$^{109}$AgI. The spectrum of the complex is consistent with a {\it{C}}$_{3v}$ geometry and a linear arrangement of the P, Ag and C atoms. The measured rotational constants allow a preliminary determination of the geometry of the molecule. The nuclear quadrupole coupling constant of the iodine atom, ${\chi}_{aa}$(I) , is also established. The experimental results are compared with theory performed at the explicitly-correlated coupled-cluster singles, doubles and perturbative triples level