Elsevier, International Journal of Mass Spectrometry, (354-355), p. 271-274, 2013
DOI: 10.1016/j.ijms.2013.06.022
Full text: Download
Multiple attachment of CO2 to the monomer, dimer and trimer cations of C-60 has been observed in the mass spectra of He nanodroplets sequentially doped with C-60 and CO2 and exposed to electron ionization at 50 eV. Remarkable anomalies were seen in the ion yield for CO2 coverage for (C-60)(2)+(CO2)(8) and (C-60)(3)(+)(CO2)(1,2). These provide insight into the influence of steric properties on the nature of physisorption. The enhanced stabilities of (C-60)(2)(+)(CO2)(8) and (C-60)(3)+(CO2)(1,2) are attributed to physisorption inside the "groove" of the dimer and the two "dimples" in the trimer cations of C-60. Molecular dynamics simulations provide a qualitative assessment of the observed physisorption and a useful visualization of structural aspects.