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

Aziz Alaoui Tahiri; Brahim El Bali; Mohammed Lachkar; Claire Wilson; David Bauer; Christoph Haisch

doi:10.1016/j.inoche.2021.108541

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

Aziz Alaoui Tahiri, Brahim El Bali, Mohammed Lachkar, Claire Wilson, David Bauer, Christoph Haisch

Chair of Analytical Chemistry and Water Chemistry

Research output: Contribution to journal › Review article › peer-review

3 Scopus citations

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 ⁴T_1g(F) →⁴T_1g(P), and a shoulder at about 460 nm which is assigned to ⁴T_1g(F) →⁴A_2g(F) transition that is manifold splitted due to multiplet coupling.

Original language	English
Article number	108541
Journal	Inorganic Chemistry Communications
Volume	128
DOIs	https://doi.org/10.1016/j.inoche.2021.108541
State	Published - Jun 2021

Keywords

Crystal structure
Hybrid phosphate
IR
Raman
UV–Visible

Access to Document

10.1016/j.inoche.2021.108541

Cite this

@article{51d1710b6f50406aab6477e3032f9cfb,

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

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) {\AA}3. 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.",

keywords = "Crystal structure, Hybrid phosphate, IR, Raman, UV–Visible",

author = "{Alaoui Tahiri}, Aziz and {El Bali}, Brahim and Mohammed Lachkar and Claire Wilson and David Bauer and Christoph Haisch",

note = "Publisher Copyright: {\textcopyright} 2021",

year = "2021",

month = jun,

doi = "10.1016/j.inoche.2021.108541",

language = "English",

volume = "128",

journal = "Inorganic Chemistry Communications",

issn = "1387-7003",

publisher = "Elsevier B.V.",

}

TY - JOUR

T1 - Crystal structure, IR, Raman and UV–Vis studies of [Co(H2P2O7)2(H2O)2][CH3)3C-NH3)]2·2H2O

AU - Alaoui Tahiri, Aziz

AU - El Bali, Brahim

AU - Lachkar, Mohammed

AU - Wilson, Claire

AU - Bauer, David

AU - Haisch, Christoph

PY - 2021/6

Y1 - 2021/6

N2 - [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.

AB - [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.

KW - Crystal structure

KW - Hybrid phosphate

KW - IR

KW - Raman

KW - UV–Visible

UR - http://www.scopus.com/inward/record.url?scp=85104066507&partnerID=8YFLogxK

U2 - 10.1016/j.inoche.2021.108541

DO - 10.1016/j.inoche.2021.108541

M3 - Review article

AN - SCOPUS:85104066507

SN - 1387-7003

VL - 128

JO - Inorganic Chemistry Communications

JF - Inorganic Chemistry Communications

M1 - 108541

ER -

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

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this