Structural Classification of Metal Complexes with Three-Coordinate Centres

Authors

Timothy L. Davis, Winston-Salem State University
Joshua A. Watts, Winston-Salem State University
Kenneth J. Brown, Winston-Salem State University
Jeewantha S. Hewage, Marquette UniversityFollow
Alexander Richard Treleven, Marquette University
Sergey V. Lindeman, Marquette UniversityFollow
James R. Gardinier, Marquette UniversityFollow

Document Type

Article

Language

eng

Format of Original

5 p.

Publication Date

2015

Publisher

Royal Society of Chemistry

Source Publication

Dalton Transactions

Source ISSN

1477-9226

Abstract

Attempts to describe the geometry about three-coordinate silver(I) complexes have proven difficult because interatomic angles generally vary wildly and there is no adequate or readily available classification system found in the literature. A search of the Cambridge Structural Database shows that complexes formed between any metal centre and three non-metal donors (18001 examples) usually adopt geometries that are quite different than ideal ‘textbook’ extremes of either trigonal planar (∼4% with α = β = γ = 120 ± 2°), T-shaped (∼0.05% with α = 180 ± 2°, β = γ = 90 ± 2°), or trigonal pyramidal (∼0.3% with α = β = γ = 110 ± 2°). Moreover, there are multiple variations of “Y-type” and “other” shapes that require elaboration. Thus, to assist in future structural descriptions, we developed a classification system that spans all known and yet-to-be-discovered three-coordinate geometries. A spreadsheet has also been constructed that utilizes the “shape-space” approach to extract the structural description from a user input of three angles about a tri-coordinate centre and the number of atoms in a plane. The structures of two silver(I) complexes of new N-donor ligands p-NH₂C₆H₄C₆H₄CH(pz = pyrazol-1-yl)₂, L1, and 2-ferrocenyl-4,5-di(2-pyridyl)imidazole, L2, illustrate the utility of this classification system.

Comments

Accepted version. Dalton Transactions, Vol. 44 (2015): 15408-15412. DOI. © 2015 The Royal Society of Chemistry. Used with permission

Recommended Citation

Davis, Timothy L.; Watts, Joshua A.; Brown, Kenneth J.; Hewage, Jeewantha S.; Treleven, Alexander Richard; Lindeman, Sergey V.; and Gardinier, James R., "Structural Classification of Metal Complexes with Three-Coordinate Centres" (2015). Chemistry Faculty Research and Publications. 559.
https://epublications.marquette.edu/chem_fac/559