The Structure and Vibrational Spectra of Gallium(III) Fluoride Dimeric Complex with Tetramethylammonium Cation

• Published in: Optics and spectroscopy Vol. 127; no. 6; pp. 984 - 990
• Main Authors: Voit, E. I., Davidovich, R. L., Udovenko, A. A., Logvinova, V. B.
• Format: Journal Article
• Language: English
• Published: Moscow Pleiades Publishing 01.12.2019; Springer Nature B.V
• Subjects: Anions; Cations; Crystal structure; Dimers; Fluorides; Gallium; Hydrogen bonds; Lasers; Optical Devices; Optics; Photonics; Physics; Physics and Astronomy; Quantum chemistry; Spectroscopy of Condensed Matter; Vibrational spectra; Water chemistry; crystal structure; vibrational spectroscopy; tetramethylammonium; complex fluoride; gallium(III); dimer
• ISSN: 0030-400X; 1562-6911
• DOI: 10.1134/S0030400X19120300

We have determined the crystal structure of gallium(III) fluoride dimeric complex [N(CH 3 ) 4 ] 2 [Ga 2 F 8 (H 2 O) 2 ], which is composed of [N(CH 3 ) 4 ] + tetrahedral cations and [Ga 2 F 8 (H 2 O) 2 ] 2– dimeric complex anions, formed by combining two slightly distorted GaF 5 (H 2 O) octahedral groups with a common F–F edge. By O–H···F hydrogen bonds, [Ga 2 F 8 (H 2 O) 2 ] 2– dimeric complex anions unite into polymer chains, between which tetramethylammonium cations are located. Based on quantum-chemical calculations, we have assigned bands in vibrational spectra of the synthesized compound. Bands that refer to vibrations of anions, cations and H 2 O molecules involved in hydrogen bonds have been identified in the spectra.