Gas-Phase Assembling of Dirhodium Units into a Novel Organometallic Ladder:  Structural and DFT Study

• Published in: Crystal growth & design Vol. 6; no. 6; pp. 1479 - 1484
• Main Authors: Filatov, Alexander S, Rogachev, Andrey Yu, Petrukhina, Marina A
• Format: Journal Article
• Language: English
• Published: Washington,DC American Chemical Society 01.06.2006
• Subjects: Condensed matter: electronic structure, electrical, magnetic, and optical properties; Condensed matter: structure, mechanical and thermal properties; Density functional theory, local density approximation; Electron states; Exact sciences and technology; Organic compounds; Organometalloidal and organometallic compounds; Physics; Structure of solids and liquids; crystallography; Structure of specific crystalline solids; Theories and models of many electron systems; Potential energy; Arene; Molecular structure; Organometallic compounds; Experimental study; Monoclinic lattices; Ladder structure; Monocrystals; Triclinic lattices; Hydrogen bonds; Supramolecular structure; Density functional method; Benzenic compound; Rhodium complexes; Donor center; Tetradentate ligand; Crystal structure
• ISSN: 1528-7483; 1528-7505
• DOI: 10.1021/cg060118c

A hydrocarbon that has three separate aromatic rings, namely 1,4-bis(p-tolylethyl)benzene (C24H26), has been structurally characterized for the first time and tested as an elongated aromatic π-donor in assembling reactions under solvent-free conditions. Its gas-phase interaction with the electrophilic dimetal complex, [Rh2(O2CCF3)4], affords single crystals of a novel organometallic complex, [Rh2(O2CCF3)4]2·(C24H26). The product has a ladder type structure built on weak but directional rhodium(II)−π-arene interactions. In the above framework, each C24H26 exhibits a tetradentate-bridging coordination having four rhodium(II) centers attached to the opposite sides of the two peripheral benzene rings. The underlying reasons for such coordination defining the formation of the title product have been discussed based on the results of density functional theory, namely the orbital interaction analysis of the reacting partners.