Comparison of the magnetic properties and harmonic force fields of nitrogen dioxide and carbon dioxide(1-) (CO2-) by ab initio calculation

Matrix Isolation of Mass-Selected Cations: Are Counterions Present and How Are They Formed?

“…This does not indicate that the anion is inherently unstable but reflects the relative stability between the neutral, linear molecule and the bent anion , Comparisons of CO 2 •- to the stable, isoelectronic species NO 2 • have been made as well . Thus, while the electron affinity of the linear neutral molecule is negative, direct CO 2 •- generation from surface-adsorbed CO 2 , where the molecule is bent and can readily accept an electron, or electron capture by CO 2 molecules in very low temperature inert gas matrices are certainly plausible processes to yield this anion in a neon matrix.…”

Adsorption and Reaction of CO2 on the RuO2(110) Surface

“…As a consequence, CO 2 chemisorption involves charge transfer from the substrate to the molecule and gives rise to a CO 2 δ- anionic species. Ab inito calculations for gas-phase CO 2 - radicals have revealed that the potential energy minimum of CO 2 - with a bent angle near 135° lies below that of linear CO 2 .…”

Electron spin properties of complexes formed by lithium or sodium with carbon dioxide

“…Stabilization energy relative to separated M+C02". 6 Principal axes are as follows: x is perpendicular to C02 molecular plane; y is parallel (or nearly so) to 0-0 internuclear vector; z is parallel (or nearly so) to C02 angle bisector. c is the angle between principal y axis of B tensor and 0-0 internuclear vector, in a clockwise sense.…”

“…For Li in C02, rotation of C02-in the matrix leads to the average values Bx = fi{Bxx + B"), B:l = Byy. 6 The 170 splittings were not analyzed. The quantity reported10 appears to be aiM + B¡.…”