skip to main content
OSTI.GOV title logo U.S. Department of Energy
Office of Scientific and Technical Information

Title: Synthesis and characterization of a new organic dihydrogenomonophosphate [3,5-(CH{sub 3}O){sub 2}C{sub 6}H{sub 3}NH{sub 3}]{sub 2}(H{sub 2}PO{sub 4}){sub 2}

Abstract

Chemical preparation, crystal structure, calorimetric studies and spectroscopic investigation are given for a new organic cation dihydrogenomonophosphate [3,5-(CH{sub 3}O){sub 2}C{sub 6}H{sub 3}NH{sub 3}]{sub 2}(H{sub 2}PO{sub 4}){sub 2}. This compound is triclinic P1-bar with the following unit cell parameters: a=9.030(6) A, b=16.124(5) A, c=8.868(3) A, {alpha}=75.04(3) deg., {beta}=110.71(4) deg., {gamma}=104.61(1) deg., Z=4, V=1148.0(1) A{sup 3}, Z=2 and {rho}{sub cal.}=1.454 g cm{sup -3}. Crystal structure was solved and refined to R=0.04, 2752 independent reflections. The atomic arrangement can be described as inorganic layers of H{sub 2}PO{sub 4}{sup -} anions parallel to y=((1)/(2)) planes, between which are located the organic groups. Solid-state {sup 13}C and {sup 31}P MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of the phosphorous and carbon signals to the independent crystallographic sites and to the various atoms of the organic groups.

Authors:
; ;
Publication Date:
OSTI Identifier:
20888016
Resource Type:
Journal Article
Journal Name:
Materials Research Bulletin
Additional Journal Information:
Journal Volume: 39; Journal Issue: 2; Other Information: DOI: 10.1016/j.materresbull.2003.10.003; PII: S0025540803002976; Copyright (c) 2003 Elsevier Science B.V., Amsterdam, The Netherlands, All rights reserved; Country of input: International Atomic Energy Agency (IAEA); Journal ID: ISSN 0025-5408
Country of Publication:
United States
Language:
English
Subject:
36 MATERIALS SCIENCE; ANIONS; CALORIMETRY; CARBON 13; CATIONS; CHEMICAL PREPARATION; CRYSTAL STRUCTURE; CRYSTALLOGRAPHY; LAYERS; NUCLEAR MAGNETIC RESONANCE; PHOSPHONATES; PHOSPHORUS 31; SPECTROSCOPY; X RADIATION; X-RAY DIFFRACTION

Citation Formats

Kaabi, K, Nasr, C Ben, and Lefebvre, F. Synthesis and characterization of a new organic dihydrogenomonophosphate [3,5-(CH{sub 3}O){sub 2}C{sub 6}H{sub 3}NH{sub 3}]{sub 2}(H{sub 2}PO{sub 4}){sub 2}. United States: N. p., 2004. Web. doi:10.1016/j.materresbull.2003.10.003.
Kaabi, K, Nasr, C Ben, & Lefebvre, F. Synthesis and characterization of a new organic dihydrogenomonophosphate [3,5-(CH{sub 3}O){sub 2}C{sub 6}H{sub 3}NH{sub 3}]{sub 2}(H{sub 2}PO{sub 4}){sub 2}. United States. https://doi.org/10.1016/j.materresbull.2003.10.003
Kaabi, K, Nasr, C Ben, and Lefebvre, F. Mon . "Synthesis and characterization of a new organic dihydrogenomonophosphate [3,5-(CH{sub 3}O){sub 2}C{sub 6}H{sub 3}NH{sub 3}]{sub 2}(H{sub 2}PO{sub 4}){sub 2}". United States. https://doi.org/10.1016/j.materresbull.2003.10.003.
@article{osti_20888016,
title = {Synthesis and characterization of a new organic dihydrogenomonophosphate [3,5-(CH{sub 3}O){sub 2}C{sub 6}H{sub 3}NH{sub 3}]{sub 2}(H{sub 2}PO{sub 4}){sub 2}},
author = {Kaabi, K and Nasr, C Ben and Lefebvre, F},
abstractNote = {Chemical preparation, crystal structure, calorimetric studies and spectroscopic investigation are given for a new organic cation dihydrogenomonophosphate [3,5-(CH{sub 3}O){sub 2}C{sub 6}H{sub 3}NH{sub 3}]{sub 2}(H{sub 2}PO{sub 4}){sub 2}. This compound is triclinic P1-bar with the following unit cell parameters: a=9.030(6) A, b=16.124(5) A, c=8.868(3) A, {alpha}=75.04(3) deg., {beta}=110.71(4) deg., {gamma}=104.61(1) deg., Z=4, V=1148.0(1) A{sup 3}, Z=2 and {rho}{sub cal.}=1.454 g cm{sup -3}. Crystal structure was solved and refined to R=0.04, 2752 independent reflections. The atomic arrangement can be described as inorganic layers of H{sub 2}PO{sub 4}{sup -} anions parallel to y=((1)/(2)) planes, between which are located the organic groups. Solid-state {sup 13}C and {sup 31}P MAS-NMR spectroscopies are in agreement with the X-ray structure. Ab initio calculations allow the attribution of the phosphorous and carbon signals to the independent crystallographic sites and to the various atoms of the organic groups.},
doi = {10.1016/j.materresbull.2003.10.003},
url = {https://www.osti.gov/biblio/20888016}, journal = {Materials Research Bulletin},
issn = {0025-5408},
number = 2,
volume = 39,
place = {United States},
year = {2004},
month = {2}
}