98542-23-5Relevant academic research and scientific papers
Electron Spin Resonance of Re2(μ-H)2(CO)8+. and Re2(μ-H)2(CO)6(μ-dppm)-. (dppm = (Ph2P)2CH2). An Indication of Large 5d-6p Mixing in the Odd-Electron Orbital
Sowa, Takayoshi,Kawamura, Takashi,Yamabe, Tokio,Yonezawa, Teijiro
, p. 6471 - 6475 (1985)
Re2(μ-H)2(CO)8-., Re2(μ-D)2(CO)8-., and Re2(μ-H)2(CO)6(μ-dppm)-. have been examined with electron spin resonance spectroscopy.They have planar Re2H2 rhomboids and their odd-electron orbitals are the ?*ReRe orbital lying in the rhomboid.Rhenium hyperfine splitting tensors are interpreted most reasonable with the ?*ReRe orbital consisting of rhenium 5d and 6p AO's.The odd-electron density on the 5d AO is estimated to be around 0.26 for Re2(μ-H)2(CO)8-..The anisotropy of the rhenium hyperfine interaction due to the odd-electron density on the 6p AO is estimated as 42 * 10-4 cm-1, a magnitude similar to that due to the 5d odd-electron density, 57 * 10-4 cm-1.This large 5d-6p mixing is likely to arise from contraction and stabilization of 6p AO's and expansion and destabilization of 5d AO's due to relativistic effects.
