H2-AgCl: A spectroscopic study of a dihydrogen complex

H-2-AgCl has been observed on a Fourier transform microwave spectrometer equipped with laser ablation source and determined to be a dihydrogen complex. Transitions up to J = 3-2 have been measured and analyzed for four isotopologues of the complex containing ortho and para H-2. The ortho and para spin states have been included in one fit, a deviation from the typical H-2 complex. Rotational constants B and C, centrifugal distortion constants Delta(J) and Delta(JK), nuclear electric quadrupole coupling constants chi(aa), chi(bb), and chi(cc) for Cl-35 and Cl-37 have been fit for both spin states while nuclear spin-nuclear spin constants D-aa, D-bb, and D-cc, and nuclear spin-rotation constant C-aa have been reported for the ortho spin state. Quantum chemical calculations predict a strong bonding interaction and the strength of the complex has been related to reported chi(aa) and Delta(J) values amongst a host of comparable species, including the AgCl monomer itself. Bond lengths have been determined for Ag-Cl, Ag-H-2 center-of-mass, and H-H and are reported. (C) 2014 AIP Publishing LLC.