			15min:

THE SEARCH FOR AN OBSERVABLE HELIUM COMPLEX.

ADRIAN M. GARDNER, TIMOTHY G. WRIGHT, School of Chemistry, University of Nottingham, University Park, Nottingham, NG7 2RD, United Kingdom; COREY J. EVANS, Department of Chemistry, University of Leicester, University Road, Leicester, LE1 7RH, United Kingdom.

Calculations on the He cdots MX, Ne cdots MX, and Ar cdots MX (M = Cu, Ag, Au; X = F, Cl) complexes at the CCSD and CCSD(T) levels of theory have been conducted.. The RG cdots MX (RG = He, Ne, and Ar) dissociation energies for these complexes have been evaluated by extrapolation to the complete basis set limit. The dissociation energies determined for the He cdots CuF and He cdots AuF complexes have been found to be significant, at ~26 kJ mol^-1. The nature of the interactions present in these species have been investigated employing atoms-in-molecules (AIM) analysis, natural bond order analysis, and through evaluation of the dipole/induced dipole and ion/induced dipole interactions. This analysis has shown that the bonding in the strongly bound He cdots CuF and He cdots AuF complexes is slightly covalent in nature.