Jump to main content
Jump to site search
SCHEDULED MAINTENANCE Close the message box

Maintenance work is planned for Monday 16 August 2021 from 07:00 to 23:59 (BST).

Website performance may be temporarily affected and you may not be able to access some PDFs or images. If this does happen, refreshing your web browser should resolve the issue. We apologise for any inconvenience this might cause and thank you for your patience.


Issue 5, 2012

Rare-earth monocarbonyls MCO: comprehensive infrared observations and a transparent theoretical interpretation for M = Sc; Y; La–Lu

Author affiliations

Abstract

The reactions of Group-3 metal atoms with carbon monoxide in solid argon have been studied using matrix isolation infrared absorption spectroscopy. The lanthanide monocarbonyls LnCO were produced spontaneously on annealing. The observations on LnCO, Ln = Pr, Nd, Sm, Eu, Tb, Dy, Ho, and Er are new. We also theoretically study the structure, bonding, and C–O stretch infrared frequencies. The covalent M–C bonding contains both M ← C σ donation from the carbon lone pair, and M 5d → CO 2π* back donation contributions. In addition to the open 4fn shells, the total spin, as found earlier, may have contributions from an M ‘σ doughnut’ and the M–C π bond, in a σ1π1, σ1π2 high-spin, or σ2π1 low-spin configuration. They form at least a single-bond, and those with the σ1π2 configuration approach a double bond in length. The weakening of the C–O bonding is related to the back donation to the antibonding C–O 2π* orbital.

Graphical abstract: Rare-earth monocarbonyls MCO: comprehensive infrared observations and a transparent theoretical interpretation for M = Sc; Y; La–Lu

Article information


Submitted
01 Dec 2011
Accepted
21 Feb 2012
First published
22 Feb 2012

Chem. Sci., 2012,3, 1548-1554
Article type
Edge Article

Rare-earth monocarbonyls MCO: comprehensive infrared observations and a transparent theoretical interpretation for M = Sc; Y; La–Lu

W. Xu, X. Jin, M. Chen, P. Pyykkö, M. Zhou and J. Li, Chem. Sci., 2012, 3, 1548 DOI: 10.1039/C2SC00998F

To request permission to reproduce material from this article, please go to the Copyright Clearance Center request page.

If you are an author contributing to an RSC publication, you do not need to request permission provided correct acknowledgement is given.

If you are the author of this article, you do not need to request permission to reproduce figures and diagrams provided correct acknowledgement is given. If you want to reproduce the whole article in a third-party publication (excluding your thesis/dissertation for which permission is not required) please go to the Copyright Clearance Center request page.

Read more about how to correctly acknowledge RSC content.


Social activity

Search articles by author

Spotlight

Advertisements