IR spectra of the cyclooctatetraene dianion prepared by matrix reactions with alkali metals

Investigation of the Electronic Structures of Organolanthanide Sandwich Complex Anions by Photoelectron Spectroscopy: 4f Orbital Contribution in the Metal–Ligand Interaction

“…Since an electron is detached from the antibonding molecular orbital of the COT carbon ring, as mentioned above, a plausible transition is an excited state of the vibrational stretching mode of CC (e 2g ). The reported CC stretching vibrational mode of COT 2– in M–COT ranges from 1450 to 1498 cm –1 . − The observed vibrational mode is strictly that of the corresponding neutral of Ln 3+ (COT 1.5– ) 2 or Ln 3+ (COT 2– )(COT – ), which accounts for the closely matched vibrational frequency. Similar features are observed in the spectra of Ce(COT) 2 – , Pr(COT) 2 – , and Nd(COT) 2 – , and these species exhibit the same energy gap between peaks X and 1 (0.18–0.20 eV).…”

New kind of electride sandwich complexes based on the cyclooctatetraene ligand M12(η8-C8H8)2M22(M1= Na, K and M2= Ca, Mg): a theoretical study

“…The stable planar dianion of COT can be formed by adding electrons to it or by coordination with a metal. 66,67 In the present study, we report a series of binuclear sandwich complexes formed by the ligand C 8 H 8 2− and the complexes have the formula M 1 2 (η 8 -C 8 H 8 ) 2 M 2 2 , where M 1 = Na, K and M 2 = Ca, Mg. The electronic structure, thermodynamic stability, binding energy and natural charge analysis have been studied.…”