화학공학소재연구정보센터
Chemical Physics Letters, Vol.343, No.5-6, 613-621, 2001
Ca+-Ar-2 complexes: linear or bent?
Ca+-Ar-2 complexes are investigated with mass-selected photo dissociation spectroscopy and with high-level ab initio calculations. Theory finds two minima with comparable energies for the ground state, a linear Ar-Ca+-Ar structure and a C-2v, Ca+-Ar-2 structure with a significant argon dimer interaction. The latter is computed to be slightly lower in energy. Electronic spectroscopy finds a sharp spectrum near the forbidden Ca+(D-2-S-2) atomic interval. Two vibronic progressions are assigned that have significantly different linewidths. Analysis of the spectrum establishes that the complex is most likely linear.