New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni]

X-ray crystal structure and vibrational spectroscopy

Francesco Capitelli, Brahim El Bali, Rachid Essehli, Mohammed Lachkar, Veronica Valentini, Giorgio Mattei, Jan Taraba, Zdirak Zak

Research output: Contribution to journalArticle

5 Citations (Scopus)

Abstract

New ethylenediammonium diphosphates (NH3(CH2) 2NH3)2[Me(HP2O7) 2·2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) Å, b = 7.5574(3) Å, c = 9.7689(7) Å, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) Å3 (1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) Å3 (2). The three-dimensional network is built up by discrete Me(HP2O 7)2·2 H2O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.

Original languageEnglish
Pages (from-to)649-655
Number of pages7
JournalZeitschrift fur Kristallographie
Volume221
Issue number9
DOIs
Publication statusPublished - 2006
Externally publishedYes

Fingerprint

diphosphates
Vibrational spectroscopy
Diphosphates
Crystal structure
methylidyne
Infrared radiation
X rays
crystal structure
X ray diffraction analysis
spectroscopy
Conformations
x rays
Single crystals
Ions
Crystals
infrared spectra
inversions
Raman spectra
single crystals
configurations

Keywords

  • Diphosphate
  • Ethylenediammonium
  • Raman and infrared spectroscopy
  • Single crystal structure analysis
  • X-ray diffraction

ASJC Scopus subject areas

  • Condensed Matter Physics

Cite this

New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni] : X-ray crystal structure and vibrational spectroscopy. / Capitelli, Francesco; El Bali, Brahim; Essehli, Rachid; Lachkar, Mohammed; Valentini, Veronica; Mattei, Giorgio; Taraba, Jan; Zak, Zdirak.

In: Zeitschrift fur Kristallographie, Vol. 221, No. 9, 2006, p. 649-655.

Research output: Contribution to journalArticle

Capitelli, Francesco ; El Bali, Brahim ; Essehli, Rachid ; Lachkar, Mohammed ; Valentini, Veronica ; Mattei, Giorgio ; Taraba, Jan ; Zak, Zdirak. / New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni] : X-ray crystal structure and vibrational spectroscopy. In: Zeitschrift fur Kristallographie. 2006 ; Vol. 221, No. 9. pp. 649-655.
@article{d365759ebbbb4dd38ef30b2eba53d0e1,
title = "New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni]: X-ray crystal structure and vibrational spectroscopy",
abstract = "New ethylenediammonium diphosphates (NH3(CH2) 2NH3)2[Me(HP2O7) 2·2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) {\AA}, b = 7.5574(3) {\AA}, c = 9.7689(7) {\AA}, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) {\AA}3 (1) and a = 7.4631(15) {\AA}, b = 7.5274(12) {\AA}, c = 9.743(3) {\AA}, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) {\AA}3 (2). The three-dimensional network is built up by discrete Me(HP2O 7)2·2 H2O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.",
keywords = "Diphosphate, Ethylenediammonium, Raman and infrared spectroscopy, Single crystal structure analysis, X-ray diffraction",
author = "Francesco Capitelli and {El Bali}, Brahim and Rachid Essehli and Mohammed Lachkar and Veronica Valentini and Giorgio Mattei and Jan Taraba and Zdirak Zak",
year = "2006",
doi = "10.1524/zkri.2006.221.9.649",
language = "English",
volume = "221",
pages = "649--655",
journal = "Zeitschfrift fur Kristallographie",
issn = "0044-2968",
publisher = "R. Oldenbourg",
number = "9",

}

TY - JOUR

T1 - New isostructural ethylenediammonium diphosphates (NH3(CH 2)2NH3)2[Me(HP2O 7)2·2 H2O] [Me = Co, Ni]

T2 - X-ray crystal structure and vibrational spectroscopy

AU - Capitelli, Francesco

AU - El Bali, Brahim

AU - Essehli, Rachid

AU - Lachkar, Mohammed

AU - Valentini, Veronica

AU - Mattei, Giorgio

AU - Taraba, Jan

AU - Zak, Zdirak

PY - 2006

Y1 - 2006

N2 - New ethylenediammonium diphosphates (NH3(CH2) 2NH3)2[Me(HP2O7) 2·2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) Å, b = 7.5574(3) Å, c = 9.7689(7) Å, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) Å3 (1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) Å3 (2). The three-dimensional network is built up by discrete Me(HP2O 7)2·2 H2O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.

AB - New ethylenediammonium diphosphates (NH3(CH2) 2NH3)2[Me(HP2O7) 2·2 H2O] [Me = Co (1), Ni (2)] have been synthesized and investigated by single-crystal X-ray diffractometry. The two structures resulted to be isostructural within triclinic space group P1. The unit-cell parameters are: a = 7.5211(6) Å, b = 7.5574(3) Å, c = 9.7689(7) Å, α = 103.6(1)°, β = 111.14(1)°, γ = 98.04(1)°, V = 486.9(1) Å3 (1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, α = 104.28(2)°, β = 110.75(2)°, γ = 97.50(2)°, V = 481.4(2) Å3 (2). The three-dimensional network is built up by discrete Me(HP2O 7)2·2 H2O moieties, which, via strong O-H . . . O bonds, form layers parallel to ab plane. Ethylenediammonium groups are located between such layers, stabilizing the framework via N-H . . . O bonds. The hydrogendiphosphate group presents bent eclipsed conformation, while the Me ion lies on inversion centre. The structural data, as the bent POP configuration, have been confirmed by the Raman and infrared spectra of the title compounds. In particular, the non-coincidence between the infrared and Raman bands supports the centrosymmetric structure of the investigated crystals.

KW - Diphosphate

KW - Ethylenediammonium

KW - Raman and infrared spectroscopy

KW - Single crystal structure analysis

KW - X-ray diffraction

UR - http://www.scopus.com/inward/record.url?scp=33748579214&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=33748579214&partnerID=8YFLogxK

U2 - 10.1524/zkri.2006.221.9.649

DO - 10.1524/zkri.2006.221.9.649

M3 - Article

VL - 221

SP - 649

EP - 655

JO - Zeitschfrift fur Kristallographie

JF - Zeitschfrift fur Kristallographie

SN - 0044-2968

IS - 9

ER -