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New isostructural ethylenediammonium diphosphates (NH3(CH2)2NH3)2[Me(HP2O7)2 . 2 H2O] [Me = Co, Ni] : X-ray crystal structure and vibrational spectroscopy

Identifieur interne : 000161 ( PascalFrancis/Checkpoint ); précédent : 000160; suivant : 000162

New isostructural ethylenediammonium diphosphates (NH3(CH2)2NH3)2[Me(HP2O7)2 . 2 H2O] [Me = Co, Ni] : X-ray crystal structure and vibrational spectroscopy

Auteurs : Francesco Capitelli [Italie] ; Brahim El Bali [Maroc] ; Rachid Essehli [Maroc] ; Mohammed Lachkar [Maroc] ; Veronica Valentini [Italie] ; Giorgio Mattei [Italie] ; Jan Taraba [République tchèque] ; Zdirak Zak [République tchèque]

Source :

RBID : Pascal:06-0526554

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English descriptors

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)°, y = 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, a = 104.28(2)°, β = 110.75(2)°, y = 97.50(2)°, V = 481.4(2) Å3 (2). The three-dimensional network is built up by discrete Me(HP2O7)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.


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Pascal:06-0526554

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<title xml:lang="en" level="a">New isostructural ethylenediammonium diphosphates (NH
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<title xml:lang="en" level="a">New isostructural ethylenediammonium diphosphates (NH
<sub>3</sub>
(CH
<sub>2</sub>
)
<sub>2</sub>
NH
<sub>3</sub>
)
<sub>2</sub>
[Me(HP
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
. 2 H
<sub>2</sub>
O] [Me = Co, Ni] : X-ray crystal structure and vibrational spectroscopy</title>
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<title level="j" type="main">Zeitschrift für Kristallographie</title>
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<term>Ammonium phosphates</term>
<term>Centrosymmetrical crystals</term>
<term>Cobalt phosphates</term>
<term>Crystal structure</term>
<term>Ethylene</term>
<term>Experimental study</term>
<term>Fourier transform spectra</term>
<term>Hybrid material</term>
<term>Hydrogen bonds</term>
<term>Infrared spectra</term>
<term>Nickel phosphates</term>
<term>Raman spectra</term>
<term>Triclinic lattices</term>
<term>Vibrational modes</term>
<term>XRD</term>
</keywords>
<keywords scheme="Pascal" xml:lang="fr">
<term>Etude expérimentale</term>
<term>Mode vibration</term>
<term>Liaison hydrogène</term>
<term>Spectre Raman</term>
<term>Spectre IR</term>
<term>Spectre transformée Fourier</term>
<term>Diffraction RX</term>
<term>Structure cristalline</term>
<term>Ethylène</term>
<term>Ammonium phosphate</term>
<term>Cristal centrosymétrique</term>
<term>Matériau hybride</term>
<term>Réseau triclinique</term>
<term>Cobalt phosphate</term>
<term>Nickel phosphate</term>
<term>6166F</term>
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<front>
<div type="abstract" xml:lang="en">New ethylenediammonium diphosphates (NH
<sub>3</sub>
(CH
<sub>2</sub>
)
<sub>2</sub>
NH
<sub>3</sub>
)
<sub>2</sub>
[Me(HP
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
. 2 H
<sub>2</sub>
O] [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)°, y = 98.04(1)°, V = 486.9(1) Å
<sup>3</sup>
(1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, a = 104.28(2)°, β = 110.75(2)°, y = 97.50(2)°, V = 481.4(2) Å
<sup>3</sup>
(2). The three-dimensional network is built up by discrete Me(HP
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
. 2 H
<sub>2</sub>
O 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.</div>
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<s1>New isostructural ethylenediammonium diphosphates (NH
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<sub>2</sub>
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<sub>2</sub>
NH
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<sub>2</sub>
[Me(HP
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O
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<s0>New ethylenediammonium diphosphates (NH
<sub>3</sub>
(CH
<sub>2</sub>
)
<sub>2</sub>
NH
<sub>3</sub>
)
<sub>2</sub>
[Me(HP
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
. 2 H
<sub>2</sub>
O] [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)°, y = 98.04(1)°, V = 486.9(1) Å
<sup>3</sup>
(1) and a = 7.4631(15) Å, b = 7.5274(12) Å, c = 9.743(3) Å, a = 104.28(2)°, β = 110.75(2)°, y = 97.50(2)°, V = 481.4(2) Å
<sup>3</sup>
(2). The three-dimensional network is built up by discrete Me(HP
<sub>2</sub>
O
<sub>7</sub>
)
<sub>2</sub>
. 2 H
<sub>2</sub>
O 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.</s0>
</fC01>
<fC02 i1="01" i2="3">
<s0>001B60A66F7</s0>
</fC02>
<fC03 i1="01" i2="3" l="FRE">
<s0>Etude expérimentale</s0>
<s5>02</s5>
</fC03>
<fC03 i1="01" i2="3" l="ENG">
<s0>Experimental study</s0>
<s5>02</s5>
</fC03>
<fC03 i1="02" i2="3" l="FRE">
<s0>Mode vibration</s0>
<s5>03</s5>
</fC03>
<fC03 i1="02" i2="3" l="ENG">
<s0>Vibrational modes</s0>
<s5>03</s5>
</fC03>
<fC03 i1="03" i2="3" l="FRE">
<s0>Liaison hydrogène</s0>
<s5>04</s5>
</fC03>
<fC03 i1="03" i2="3" l="ENG">
<s0>Hydrogen bonds</s0>
<s5>04</s5>
</fC03>
<fC03 i1="04" i2="3" l="FRE">
<s0>Spectre Raman</s0>
<s5>05</s5>
</fC03>
<fC03 i1="04" i2="3" l="ENG">
<s0>Raman spectra</s0>
<s5>05</s5>
</fC03>
<fC03 i1="05" i2="3" l="FRE">
<s0>Spectre IR</s0>
<s5>06</s5>
</fC03>
<fC03 i1="05" i2="3" l="ENG">
<s0>Infrared spectra</s0>
<s5>06</s5>
</fC03>
<fC03 i1="06" i2="3" l="FRE">
<s0>Spectre transformée Fourier</s0>
<s5>07</s5>
</fC03>
<fC03 i1="06" i2="3" l="ENG">
<s0>Fourier transform spectra</s0>
<s5>07</s5>
</fC03>
<fC03 i1="07" i2="3" l="FRE">
<s0>Diffraction RX</s0>
<s5>08</s5>
</fC03>
<fC03 i1="07" i2="3" l="ENG">
<s0>XRD</s0>
<s5>08</s5>
</fC03>
<fC03 i1="08" i2="3" l="FRE">
<s0>Structure cristalline</s0>
<s5>14</s5>
</fC03>
<fC03 i1="08" i2="3" l="ENG">
<s0>Crystal structure</s0>
<s5>14</s5>
</fC03>
<fC03 i1="09" i2="3" l="FRE">
<s0>Ethylène</s0>
<s2>NK</s2>
<s5>15</s5>
</fC03>
<fC03 i1="09" i2="3" l="ENG">
<s0>Ethylene</s0>
<s2>NK</s2>
<s5>15</s5>
</fC03>
<fC03 i1="10" i2="3" l="FRE">
<s0>Ammonium phosphate</s0>
<s2>NK</s2>
<s5>16</s5>
</fC03>
<fC03 i1="10" i2="3" l="ENG">
<s0>Ammonium phosphates</s0>
<s2>NK</s2>
<s5>16</s5>
</fC03>
<fC03 i1="11" i2="X" l="FRE">
<s0>Cristal centrosymétrique</s0>
<s5>17</s5>
</fC03>
<fC03 i1="11" i2="X" l="ENG">
<s0>Centrosymmetrical crystals</s0>
<s5>17</s5>
</fC03>
<fC03 i1="11" i2="X" l="SPA">
<s0>Cristal centrosimétrico</s0>
<s5>17</s5>
</fC03>
<fC03 i1="12" i2="X" l="FRE">
<s0>Matériau hybride</s0>
<s5>18</s5>
</fC03>
<fC03 i1="12" i2="X" l="ENG">
<s0>Hybrid material</s0>
<s5>18</s5>
</fC03>
<fC03 i1="12" i2="X" l="SPA">
<s0>Material híbrido</s0>
<s5>18</s5>
</fC03>
<fC03 i1="13" i2="3" l="FRE">
<s0>Réseau triclinique</s0>
<s5>19</s5>
</fC03>
<fC03 i1="13" i2="3" l="ENG">
<s0>Triclinic lattices</s0>
<s5>19</s5>
</fC03>
<fC03 i1="14" i2="3" l="FRE">
<s0>Cobalt phosphate</s0>
<s2>NK</s2>
<s5>20</s5>
</fC03>
<fC03 i1="14" i2="3" l="ENG">
<s0>Cobalt phosphates</s0>
<s2>NK</s2>
<s5>20</s5>
</fC03>
<fC03 i1="15" i2="3" l="FRE">
<s0>Nickel phosphate</s0>
<s2>NK</s2>
<s5>21</s5>
</fC03>
<fC03 i1="15" i2="3" l="ENG">
<s0>Nickel phosphates</s0>
<s2>NK</s2>
<s5>21</s5>
</fC03>
<fC03 i1="16" i2="3" l="FRE">
<s0>6166F</s0>
<s2>PAC</s2>
<s4>INC</s4>
<s5>56</s5>
</fC03>
<fC07 i1="01" i2="3" l="FRE">
<s0>Composé minéral</s0>
<s5>48</s5>
</fC07>
<fC07 i1="01" i2="3" l="ENG">
<s0>Inorganic compounds</s0>
<s5>48</s5>
</fC07>
<fC07 i1="02" i2="3" l="FRE">
<s0>Métal transition composé</s0>
<s5>49</s5>
</fC07>
<fC07 i1="02" i2="3" l="ENG">
<s0>Transition element compounds</s0>
<s5>49</s5>
</fC07>
<fC07 i1="03" i2="3" l="FRE">
<s0>Composé organique</s0>
<s5>50</s5>
</fC07>
<fC07 i1="03" i2="3" l="ENG">
<s0>Organic compounds</s0>
<s5>50</s5>
</fC07>
<fN21>
<s1>346</s1>
</fN21>
<fN44 i1="01">
<s1>PSI</s1>
</fN44>
<fN82>
<s1>PSI</s1>
</fN82>
</pA>
</standard>
</inist>
<affiliations>
<list>
<country>
<li>Italie</li>
<li>Maroc</li>
<li>République tchèque</li>
</country>
<region>
<li>Moravie</li>
</region>
<settlement>
<li>Brno</li>
</settlement>
</list>
<tree>
<country name="Italie">
<noRegion>
<name sortKey="Capitelli, Francesco" sort="Capitelli, Francesco" uniqKey="Capitelli F" first="Francesco" last="Capitelli">Francesco Capitelli</name>
</noRegion>
<name sortKey="Mattei, Giorgio" sort="Mattei, Giorgio" uniqKey="Mattei G" first="Giorgio" last="Mattei">Giorgio Mattei</name>
<name sortKey="Valentini, Veronica" sort="Valentini, Veronica" uniqKey="Valentini V" first="Veronica" last="Valentini">Veronica Valentini</name>
</country>
<country name="Maroc">
<noRegion>
<name sortKey="El Bali, Brahim" sort="El Bali, Brahim" uniqKey="El Bali B" first="Brahim" last="El Bali">Brahim El Bali</name>
</noRegion>
<name sortKey="Essehli, Rachid" sort="Essehli, Rachid" uniqKey="Essehli R" first="Rachid" last="Essehli">Rachid Essehli</name>
<name sortKey="Lachkar, Mohammed" sort="Lachkar, Mohammed" uniqKey="Lachkar M" first="Mohammed" last="Lachkar">Mohammed Lachkar</name>
</country>
<country name="République tchèque">
<region name="Moravie">
<name sortKey="Taraba, Jan" sort="Taraba, Jan" uniqKey="Taraba J" first="Jan" last="Taraba">Jan Taraba</name>
</region>
<name sortKey="Zak, Zdirak" sort="Zak, Zdirak" uniqKey="Zak Z" first="Zdirak" last="Zak">Zdirak Zak</name>
</country>
</tree>
</affiliations>
</record>

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