화학공학소재연구정보센터
Journal of Physical Chemistry A, Vol.105, No.11, 2444-2452, 2001
Collision-induced dissociation and theoretical studies of Cu+-dimethyl ether complexes
Collision-induced dissociation of the Cu+(DME)(n) complexes for n = 1-4 is studied using kinetic energy dependent guided ion beam mass spectrometry. In all cases, the primary products involve the loss of one dimethyl ether (DME) from the complex. Analysis of the kinetic energy dependent cross sections yields absolute bond dissociation energies for these complexes of 1.92 +/- 0.12, 2.00 +/- 0.08, 0.57 +/- 0.04, and 0.47 +/- 0.10 eV for n = 1-4, respectively. These values are compared with theoretical values obtained using density functional theory and ab initio calculations at second and fourth order Moller-Plesset perturbation, MP2, and MP4(SDTQ) levels. Our results are compared with previously studied alkali cation-ether complexes and with metal-water ligand systems. Although Cu+ and all alkali cations have S-1 electronic ground states, the comparison shows different trends for Cu+ because of hybridization effects involving the valence d-electrons.