Title

ESR investigation of the cation radicals 14N213CO+, 15N212CO+, and 15N213CO+: The trapping of ion-neutral reaction products in neon matrices at 4 K

ACS Citation

Knight, L. B.; Steadman, J.; Miller, P. K.; Cleveland, J. A. ESR investigation of the cation radicals 14N213CO+, 15N212CO+, and 15N213CO+: The trapping of ion-neutral reaction products in neon matrices at 4 K. J. Chem. Phys. 1988, 88, 2226-2226.

Abstract

ESR results are reported for the cation radicals 15 N2 12 CO+ , 15 N2 13 CO+ and 14 N2 13 CO+ trapped as isolated ions in neon matrices at 4 K. The N2CO+ radical was generated by codepositing N2 and CO into a neon matrix under ionizing conditions (both photoionization at 16.8 eV, and 50 eV electron bombardment). A complete resolution of the 14 N, 15 N, and 13 C Atensors reveal that the radical is planar and nonlinear (NNC O). Electronic structure changes that occur as N+ 2 and CO (or CO+ with N2) combine to form N2CO+ are analyzed by comparing the nuclear hfs of the diatomic reactants with that of the product radical. The 13C hfs is extremely large with A x =1376(1); A y =1407(1), and A z =1403(1) MHz. The Atensor for the inner 14 N atom is: A x,y =200.2(6) and A z =226.6(3) MHz. The outer 14 N has ‖A x,y ‖ =4(1) and A z =9.4(2) MHz. The nuclear gtensor appears axially symmetric with g x,y =2.0007(3) and g z =2.0002(3). SCF calculations also show N2 CO+ to be nonlinear and yield A values in reasonably good agreement with experiment. These ESR results for N2CO+ are compared with similar measurements for the isoelectronic ions C2O+ 2, N+ 4, and C2N− 2.

Source Name

Journal of Chemical Physics

Publication Date

1-1-1988

Volume

88

Issue

4

Page(s)

3528-3536

Document Type

Citation

Citation Type

Article