10.1021/jp7115966.s002
Ling Jiang
Ling
Jiang
Xi Jin
Xi
Jin
Mingfei Zhou
Mingfei
Zhou
Qiang Xu
Qiang
Xu
CO Activation on the Late Lanthanide Dimers: Matrix Infrared Spectra of the
Ln<sub>2</sub>[η<sup>2</sup>(μ<sub>2</sub>-C, O)]<i><sub>x</sub></i> (Ln = Tb, Dy, Ho, Er, Lu; <i>x</i> = 1, 2) Molecules
American Chemical Society
2008
cm
Ln
Lu
Tb
lanthanide atoms
Yb
carbon monoxide molecules
Ho
Dy
theory calculations
CO moieties
sample annealing
dilanthanide carbonyls range
Tm
CO Activation
Er
2008-04-24 00:00:00
Journal contribution
https://acs.figshare.com/articles/journal_contribution/CO_Activation_on_the_Late_Lanthanide_Dimers_Matrix_Infrared_Spectra_of_the_Ln_sub_2_sub_sup_2_sup_sub_2_sub_C_O_i_sub_x_sub_i_Ln_Tb_Dy_Ho_Er_Lu_i_x_i_1_2_Molecules/2942992
Reactions of laser-ablated late lanthanide atoms (Tb, Dy, Ho, Er, Tm, Yb, and Lu) with dilute carbon monoxide
molecules in solid argon have been investigated using matrix-isolation infrared spectroscopy. The Ln<sub>2</sub>[η<sup>2</sup>(μ<sub>2</sub>-C, O)]<i><sub>x</sub></i> (Ln = Tb, Dy, Ho, Er, Lu; <i>x</i> = 1, 2) molecules are observed upon sample annealing, whereas no
product is observed for Tm and Yb. The C−O stretching frequencies in these dilanthanide carbonyls range
from 1100 to 1300 cm<sup>-1</sup>, far below the value of free CO in the gas phase (2143.5 cm<sup>-1</sup>), implying that the
C−O bonds are highly activated. Density functional theory calculations have been performed on these products.
These Ln<sub>2</sub>[η<sup>2</sup>(μ<sub>2</sub>-C, O)]<i><sub>x</sub></i> molecules are predicted to have planar structures, which carry asymmetrically bridging
CO moieties that are tilted to the side.