ab initio studies;
ionic complexes;
NH4+-Ar-n;
infrared photodissociation spectroscopy;
solvation;
D O I:
10.1016/S0168-1176(97)00111-0
中图分类号:
O64 [物理化学(理论化学)、化学物理学];
O56 [分子物理学、原子物理学];
学科分类号:
070203 ;
070304 ;
081704 ;
1406 ;
摘要:
Infrared spectra of mass selected NH4+-Ar-n (n = 1-7) cluster ions have been recorded in the range between 3000 and 3500 cm(-1) by means of photodissociation spectroscopy. Vibrational assignments are based on ab initio calculations by taking into account complexation-induced frequency shifts and splittings as well as band intensities. The results indicate that the first four Ar atoms occupy equivalent vertex-bound sites, while further Ar atoms are probably located at the faces of the tetrahedral monomer. (C) 1997 Elsevier Science B.V. (C) 1997 Elsevier Science B.V.