Vibrational study, reinvestigation of the crystal structure of MgHPO4.3H2O and calculated IR frequencies for the PO4 3-by isotopic substitutions

Mustapha Belhabra; Soufiane Zerraf; Aziz Kheireddine; Ismail Fahim; Malika Tridane; Ali Abouimrane; Said Belaaouad

doi:10.33263/BRIAC123.41404154

Vibrational study, reinvestigation of the crystal structure of MgHPO₄.3H₂O and calculated IR frequencies for the PO₄ ^3-by isotopic substitutions

Mustapha Belhabra
, Soufiane Zerraf
, Aziz Kheireddine
, Ismail Fahim
, Malika Tridane
, Ali Abouimrane
, Said Belaaouad

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The monohydrogenomonophosphatetrihydrate of magnesium MgHPO₄.3H₂O was reinvestigated by X-ray diffraction, vibrational spectroscopy, nuclear magnetic resonance and calculation of the IR frequencies by using isotopic substitutions. MgHPO₄.3H₂ O is orthorhombic, space group Pbca with the following unit-cell parameters: a = 10.0133(2) Å, b= 10.2136(1) Å, c =10.6853(2) Å, Z = 8 and V = 1092.81(3) Å³. Raman and infrared spectra of MgHPO₄.3H₂ O have been recorded and interpreted on the basis of factor group analysis. The occurrence of the four frequencies ν1, v2, v3, v4 in the vibrational spectra confirms the existence of the PO₄ 3− tetrahedron.

Original language	English
Pages (from-to)	4140-4154
Number of pages	15
Journal	Biointerface Research in Applied Chemistry
Volume	12
Issue number	3
DOIs	https://doi.org/10.33263/BRIAC123.41404154
State	Published - 2022
Externally published	Yes

Keywords

Calculated infrared frequencies
Infrared
Isotopic substitution
Nuclear Magnetic Resonance
Raman
Structural reinvestigation

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10.33263/BRIAC123.41404154

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@article{b853b6cffd894770ab457387a1ee82b2,

title = "Vibrational study, reinvestigation of the crystal structure of MgHPO4.3H2O and calculated IR frequencies for the PO4 3-by isotopic substitutions",

abstract = "The monohydrogenomonophosphatetrihydrate of magnesium MgHPO4.3H2O was reinvestigated by X-ray diffraction, vibrational spectroscopy, nuclear magnetic resonance and calculation of the IR frequencies by using isotopic substitutions. MgHPO4.3H2 O is orthorhombic, space group Pbca with the following unit-cell parameters: a = 10.0133(2) {\AA}, b= 10.2136(1) {\AA}, c =10.6853(2) {\AA}, Z = 8 and V = 1092.81(3) {\AA}3. Raman and infrared spectra of MgHPO4.3H2 O have been recorded and interpreted on the basis of factor group analysis. The occurrence of the four frequencies ν1, v2, v3, v4 in the vibrational spectra confirms the existence of the PO4 3− tetrahedron.",

keywords = "Calculated infrared frequencies, Infrared, Isotopic substitution, Nuclear Magnetic Resonance, Raman, Structural reinvestigation",

author = "Mustapha Belhabra and Soufiane Zerraf and Aziz Kheireddine and Ismail Fahim and Malika Tridane and Ali Abouimrane and Said Belaaouad",

note = "Publisher Copyright: {\textcopyright} 2021 by the authors.",

year = "2022",

doi = "10.33263/BRIAC123.41404154",

language = "English",

volume = "12",

pages = "4140--4154",

journal = "Biointerface Research in Applied Chemistry",

issn = "2069-5837",

number = "3",

}

TY - JOUR

T1 - Vibrational study, reinvestigation of the crystal structure of MgHPO4.3H2O and calculated IR frequencies for the PO4 3-by isotopic substitutions

AU - Belhabra, Mustapha

AU - Zerraf, Soufiane

AU - Kheireddine, Aziz

AU - Fahim, Ismail

AU - Tridane, Malika

AU - Abouimrane, Ali

AU - Belaaouad, Said

PY - 2022

Y1 - 2022

N2 - The monohydrogenomonophosphatetrihydrate of magnesium MgHPO4.3H2O was reinvestigated by X-ray diffraction, vibrational spectroscopy, nuclear magnetic resonance and calculation of the IR frequencies by using isotopic substitutions. MgHPO4.3H2 O is orthorhombic, space group Pbca with the following unit-cell parameters: a = 10.0133(2) Å, b= 10.2136(1) Å, c =10.6853(2) Å, Z = 8 and V = 1092.81(3) Å3. Raman and infrared spectra of MgHPO4.3H2 O have been recorded and interpreted on the basis of factor group analysis. The occurrence of the four frequencies ν1, v2, v3, v4 in the vibrational spectra confirms the existence of the PO4 3− tetrahedron.

AB - The monohydrogenomonophosphatetrihydrate of magnesium MgHPO4.3H2O was reinvestigated by X-ray diffraction, vibrational spectroscopy, nuclear magnetic resonance and calculation of the IR frequencies by using isotopic substitutions. MgHPO4.3H2 O is orthorhombic, space group Pbca with the following unit-cell parameters: a = 10.0133(2) Å, b= 10.2136(1) Å, c =10.6853(2) Å, Z = 8 and V = 1092.81(3) Å3. Raman and infrared spectra of MgHPO4.3H2 O have been recorded and interpreted on the basis of factor group analysis. The occurrence of the four frequencies ν1, v2, v3, v4 in the vibrational spectra confirms the existence of the PO4 3− tetrahedron.

KW - Calculated infrared frequencies

KW - Infrared

KW - Isotopic substitution

KW - Nuclear Magnetic Resonance

KW - Raman

KW - Structural reinvestigation

UR - https://www.scopus.com/pages/publications/85112365053

U2 - 10.33263/BRIAC123.41404154

DO - 10.33263/BRIAC123.41404154

M3 - Article

AN - SCOPUS:85112365053

SN - 2069-5837

VL - 12

SP - 4140

EP - 4154

JO - Biointerface Research in Applied Chemistry

JF - Biointerface Research in Applied Chemistry

IS - 3

ER -

Vibrational study, reinvestigation of the crystal structure of MgHPO₄.3H₂O and calculated IR frequencies for the PO₄ ^3-by isotopic substitutions

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