Electron-spin resonance of the Co, Rh, and Ir dihydride molecules

Publisher Website
Google Scholar
Abstract
Electron-spin-resonance (ESR) spectra of 59CoH2, 103RhH2, 191,193IrH2 molecules and their deuterated counterparts have been observed in argon and krypton matrices at 4 K. Analysis indicates that each is a nonlinear molecule with S=1/2. In all cases, the spin density at the two attached hydrogen atoms is small and the s character of the unpaired electron on the metal varies from about 4% to 20% to 15%, respectively. Relatively large g shifts Δgi=gi−ge (i=x,y,z) are observed, increasing with increasing mass of the metal atom. These findings for RhH2 and IrH2 are in complete agreement with the theoretical calculations of Balasubramanian, Liao, and Dai, indicating that both molecules have 2A1 ground states and low-lying 2A2 and 2B1 excited states. However, the experimental results on CoH2 cannot be accounted for by the 4Φ ground state predicted by other theoretical studies.

This publication has 19 references indexed in Scilit: