Crystal structure, IR, Raman and UV-Vis studies of [Co(H2P2O7)2(H2O)2][CH3)3C-NH3)]2 2H2O

Alaoui Tahiri, A., El Bali, B., Lachkar, M., Wilson, C. , Bauer, D. and Haisch, C. (2021) Crystal structure, IR, Raman and UV-Vis studies of [Co(H2P2O7)2(H2O)2][CH3)3C-NH3)]2 2H2O. Inorganic Chemistry Communications, 128, 108541. (doi: 10.1016/j.inoche.2021.108541)

Abstract

[Co(H2P2O7)2(H2O)2][(CH3)3C-NH3]2·2H2O, a new organically templated dihydrogen-pyrophosphate compound, was synthesized and characterized. The crystal structure was determined using single crystal X-ray diffraction data; [Co(H2P2O7)2(H2O)2][(CH3)3C-NH3]2·2H2O crystallizes in orthorhombic space group Cmce (n 64), Z = 4, a= 11.9 642(10), b= 9.1565(8), c= 24.488(2), V = 2682.7(4) Å3. Final agreement factors for the refined structure model are R/Rw (%) were 3.96/9.12. The open framework of [Co(H2P2O7)2(H2O)2][(CH3)3C-NH3]2·2H2O might be described as phosphor-metallic slabs, made of isolated octahedrons [Co(H2P2O7)2(H2O)2], which interact through intra-slab H-bonds, while inter-slabs H-bonds ensure the interactions of neighbouring slabs. The inter-slabs host the counter ion [(CH3)3C-NH3)]+ ions and H2O molecules. Raman and FTIR spectra of the newly synthesized compound confirm the structural data obtained by X-Ray diffraction. The complementary information about vibrational modes prove the presence and the coordination of the phosphates as well as the organic moieties. UV-Vis spectrophotometry provide evidence of d-d transitions that are typically found in octahedral Co(II) compounds. In the visible region, the electronic spectrum is dominated by a well resolved strong band at 505 nm assigned to the spin allowed transition 4T1g(F) →4T1g(P), and a shoulder at about 460 nm which is assigned to 4T1g(F) →4A2g(F) transition that is manifold splitted due to multiplet coupling.

• Item Type: Articles
• Status: Published
• Refereed: Yes
• Glasgow Author(s) Enlighten ID: Wilson, Dr Claire
• Authors: Alaoui Tahiri, A., El Bali, B., Lachkar, M., Wilson, C., Bauer, D., and Haisch, C.
• College/School: College of Science and Engineering > School of Chemistry
• Journal Name: Inorganic Chemistry Communications
• Publisher: Elsevier
• ISSN: 1387-7003
• ISSN (Online): 1879-0259
• Published Online: 10 March 2021
• Copyright Holders: Copyright © 2021 Elsevier B.V.
• First Published: First published in Inorganic Chemistry Communications 128: 108541
• Publisher Policy: Reproduced in accordance with the publisher copyright policy