A digold(I) – Tetraalkynyl macrocycle with host-guest properties. (1st September 2022)

• Record Type: Journal Article
• Authors: Smith, Mark D.; Semeniuc, Radu F.
• Is Part Of: Polyhedron. Volume 223(2022)
• Publication Date: 2022-09-01
• Subjects: Supramolecular chemistry -- X-ray crystal structures -- Gold complexes; Chemistry, Inorganic -- Periodicals; Chimie inorganique -- Périodiques; Organometaalverbindingen; Anorganische chemie; 546.05
• DOI: 10.1016/j.poly.2022.115954
• Languages: English
• ISSNs: 0277-5387

Abstract

Graphical abstract: Abstract: In this contribution we wish to describe the synthesis and characterization of an anthraquinone-based dialkynyl ligand AQ-(OCH2 CCH)2 (1, AQ = anthraquinone) and its coordination to Au(I) centers, to form a negatively charged tetraalkynyldigold macrocycle ([AQ-(OCH2 CC)2 Au]2 (NPr4 )2 (2 )), capable to act as a host for positively charged species. X-Ray diffraction studies revealed that compound 1 crystalizes in the monoclinic crystal system, space group C 2/ c, with the unit cell dimensions a = 33.4705(19) Å, b = 6.8582(4) Å, c = 12.8850(7) Å, and β = 90.7990(10)°, with Z = 8. The supramolecular structure of 1 consists of ribbons running along the b axis of the unit cell, and it is supported by CC-H ··· O hydrogen bonds and π – π stacking interactions. Complex 2 crystalizes in the monoclinic crystal system, space group P 21 / c, with the unit cell dimensions a = 21.5515(9) Å, b = 15.3851(6) Å, c = 25.2615(10) Å, and β = 99.6730(10)°, with Z = 4. X-Ray diffraction investigations showed that the structure of 2 consists of two anthraquinone groups connected by two CC–Au–CC spacers, with an overall basket-like shape of the macrocycle. One tetrapropylammonium cation is positioned inside the macrocycle with two n -Pr groups being threaded through the cavity of the macrocycle, and the other two situated between the two anthraquinone moieties of the complex. This species is best described as an inclusion compound, formulated as {N[ n - Pr ]4 + ⊂2 2– }{N[ n - Pr ]4 + }.