ZIGZAG METAL-ORGANIC POLYMER: (2,2’-DIPYRIDYLAMINE)(TEREPHTALATO)ZINC(II) HYDRATE
CIK-CAK METAL-ORGANSKI POLIMER: (2,2’-DIPIRIDILAMIN)(TEREFTALATO)CINK(II)-HIDRAT
Конференцијски прилог (Објављена верзија)
Метаподаци
Приказ свих података о документуАпстракт
Anions of terephthalic (1,4-benzenedicarboxylic) acid, tpht2–, act as a potential
polydentate and bridging ligands in metal-organic framework structures. COO groups are
usually coordinated either in mono-, bi- or polydentate ways, while the simultaneous
presence of two differently coordinated tpht ions is very uncommon [1]. As a continuation
of our previous studies [2], the title complex has been hydrothermally synthesized and
characterized by single crystal X-ray diffraction, elemental and TG/DSC analysis and
FT-IR spectroscopy.
The structure (Fig. 1) consists of [Zn(dipya)(tpht)] complex units (dipya is
2,2’-dipyridylamine) and one solvent water molecule. There are two independent tphts: one
tpht is coordinated as bis-monodentate and another as bis-chelate ligand. In this way,
zigzag polymeric chains are formed (Fig. 2). The coordination geometry around Zn(II)
atom can be described as deformed square pyramid. The water molecule is triply hydrogen
bonded connecting even th...ree adjacent chains and leading to the formation of 3D
framework structure. Further stabilization of the structure occurs through edge-to-face
C–H…π interactions among H atom from bis-monodentate tpht in one chain and aromatic
ring from bis-chelate tpht in neighboring chain (H···Cg distance 2.892 Å). Crystal data: C72H60Zn4N12O20, Mr = 1674.8,
monoclinic, space group P21/n, a = 9.875(2),
b = 14.371(3), c = 12.264(3) Å, β = 95.87(3) o
,
V = 1731.3(6) Å3
, Z = 1, F(000) = 856,
ρx = 1.606 g cm–3, μ (MoKα) = 1.455 mm–1.
The refinement on F 2 (264 parameters)
yielded R1 = 0.0478, wR2 = 0.0704, S = 1.043
for all data, and R1 = 0.0345 for 2604
observed reflections with I ≥ 2σ(I).
U metal-organskim umreženim strukturama anjoni tereftalne (1,4-benzendikarboksilne)
kiseline, tpht2–, predstavljaju potencijalne polidentatne i mostovne ligande. COO–
-grupe su
najčešće koordinirane na mono-, bi- ili polidentatni način, dok je istovremeno prisustvo dva
različito koordinirana tpht-jona veoma retko [1]. Kao nastavak naših ranijih istraživanja
[2], hidrotermalnom sintezom dobijen je navedeni kompleks i okarakterisan rendgenskom
strukturnom, elementarnom i TG/DSC analizom i IC-spektroskopijom.
Struktura (sl. 1) se sastoji od [Zn(dipya)(tpht)] kompleksnih jedinki (dipya je
2,2’-dipiridilamin) i nekoordiniranog molekula vode. Postoje dva nezavisna tpht liganda:
jedan je koordiniran kao bis-monodentatni, a drugi kao bis-helatni ligand. Na taj način se
formiraju cik-cak polimerni lanci (sl. 2). Geometrija oko atoma Zn(II) može se opisati kao
deformisana kvadratna piramida. Molekul vode gradi tri vodonične veze povezujući čak tri
susedna lanca i formirajući 3D struk...turu. Dalja stabilizacija strukture odvija se pomoću
„edge-to-face” C–H...π interakcija između H-atoma bis-monodentatnog tpht u jednom
lancu i aromatičnog prstena bis-helatnog tpht u susednom lancu (H···Cg rastojanje iznosi
2,892 Å). Kristalografski podaci: C72H60Zn4N12O20,
Mr = 1674,8, monoklinični sistem,
prostorna grupa P21/n, a = 9,875(2),
b = 14,371(3), c = 12,264(3) Å,
β = 95,87(3) o
, V = 1731,3(6) Å3
, Z = 1,
F(000) = 856, ρx = 1,606 g cm–3,
μ (MoKα) = 1,455 mm–1. Utačnjavanje sa
F 2 (264 parametara) dalo je R1 = 0,0478,
wR2 = 0,0704, S = 1,043 za sve podatke, i
R1 = 0,0345 za 2604 refleksija sa I ≥ 2σ(I).
Извор:
Izvodi radova / XXI konferencija Srpskog kristalografskog društva, Užice, 10-12. jun 2014, 2014, 64-65Издавач:
- Beograd : Srpsko kristalografsko društvo
Финансирање / пројекти:
- 0-3D наноструктуре за примену у електроници и обновљивим изворима енергије: синтеза, карактеризација и процесирање (RS-MESTD-Integrated and Interdisciplinary Research (IIR or III)-45007)
Колекције
Институција/група
Inovacioni centarTY - CONF AU - Radovanović, Lidija AU - Poleti, Dejan AU - Rogan, Jelena PY - 2014 UR - http://TechnoRep.tmf.bg.ac.rs/handle/123456789/6694 AB - Anions of terephthalic (1,4-benzenedicarboxylic) acid, tpht2–, act as a potential polydentate and bridging ligands in metal-organic framework structures. COO groups are usually coordinated either in mono-, bi- or polydentate ways, while the simultaneous presence of two differently coordinated tpht ions is very uncommon [1]. As a continuation of our previous studies [2], the title complex has been hydrothermally synthesized and characterized by single crystal X-ray diffraction, elemental and TG/DSC analysis and FT-IR spectroscopy. The structure (Fig. 1) consists of [Zn(dipya)(tpht)] complex units (dipya is 2,2’-dipyridylamine) and one solvent water molecule. There are two independent tphts: one tpht is coordinated as bis-monodentate and another as bis-chelate ligand. In this way, zigzag polymeric chains are formed (Fig. 2). The coordination geometry around Zn(II) atom can be described as deformed square pyramid. The water molecule is triply hydrogen bonded connecting even three adjacent chains and leading to the formation of 3D framework structure. Further stabilization of the structure occurs through edge-to-face C–H…π interactions among H atom from bis-monodentate tpht in one chain and aromatic ring from bis-chelate tpht in neighboring chain (H···Cg distance 2.892 Å). Crystal data: C72H60Zn4N12O20, Mr = 1674.8, monoclinic, space group P21/n, a = 9.875(2), b = 14.371(3), c = 12.264(3) Å, β = 95.87(3) o , V = 1731.3(6) Å3 , Z = 1, F(000) = 856, ρx = 1.606 g cm–3, μ (MoKα) = 1.455 mm–1. The refinement on F 2 (264 parameters) yielded R1 = 0.0478, wR2 = 0.0704, S = 1.043 for all data, and R1 = 0.0345 for 2604 observed reflections with I ≥ 2σ(I). AB - U metal-organskim umreženim strukturama anjoni tereftalne (1,4-benzendikarboksilne) kiseline, tpht2–, predstavljaju potencijalne polidentatne i mostovne ligande. COO– -grupe su najčešće koordinirane na mono-, bi- ili polidentatni način, dok je istovremeno prisustvo dva različito koordinirana tpht-jona veoma retko [1]. Kao nastavak naših ranijih istraživanja [2], hidrotermalnom sintezom dobijen je navedeni kompleks i okarakterisan rendgenskom strukturnom, elementarnom i TG/DSC analizom i IC-spektroskopijom. Struktura (sl. 1) se sastoji od [Zn(dipya)(tpht)] kompleksnih jedinki (dipya je 2,2’-dipiridilamin) i nekoordiniranog molekula vode. Postoje dva nezavisna tpht liganda: jedan je koordiniran kao bis-monodentatni, a drugi kao bis-helatni ligand. Na taj način se formiraju cik-cak polimerni lanci (sl. 2). Geometrija oko atoma Zn(II) može se opisati kao deformisana kvadratna piramida. Molekul vode gradi tri vodonične veze povezujući čak tri susedna lanca i formirajući 3D strukturu. Dalja stabilizacija strukture odvija se pomoću „edge-to-face” C–H...π interakcija između H-atoma bis-monodentatnog tpht u jednom lancu i aromatičnog prstena bis-helatnog tpht u susednom lancu (H···Cg rastojanje iznosi 2,892 Å). Kristalografski podaci: C72H60Zn4N12O20, Mr = 1674,8, monoklinični sistem, prostorna grupa P21/n, a = 9,875(2), b = 14,371(3), c = 12,264(3) Å, β = 95,87(3) o , V = 1731,3(6) Å3 , Z = 1, F(000) = 856, ρx = 1,606 g cm–3, μ (MoKα) = 1,455 mm–1. Utačnjavanje sa F 2 (264 parametara) dalo je R1 = 0,0478, wR2 = 0,0704, S = 1,043 za sve podatke, i R1 = 0,0345 za 2604 refleksija sa I ≥ 2σ(I). PB - Beograd : Srpsko kristalografsko društvo C3 - Izvodi radova / XXI konferencija Srpskog kristalografskog društva, Užice, 10-12. jun 2014 T1 - ZIGZAG METAL-ORGANIC POLYMER: (2,2’-DIPYRIDYLAMINE)(TEREPHTALATO)ZINC(II) HYDRATE T1 - CIK-CAK METAL-ORGANSKI POLIMER: (2,2’-DIPIRIDILAMIN)(TEREFTALATO)CINK(II)-HIDRAT EP - 65 SP - 64 UR - https://hdl.handle.net/21.15107/rcub_technorep_6694 ER -
@conference{ author = "Radovanović, Lidija and Poleti, Dejan and Rogan, Jelena", year = "2014", abstract = "Anions of terephthalic (1,4-benzenedicarboxylic) acid, tpht2–, act as a potential polydentate and bridging ligands in metal-organic framework structures. COO groups are usually coordinated either in mono-, bi- or polydentate ways, while the simultaneous presence of two differently coordinated tpht ions is very uncommon [1]. As a continuation of our previous studies [2], the title complex has been hydrothermally synthesized and characterized by single crystal X-ray diffraction, elemental and TG/DSC analysis and FT-IR spectroscopy. The structure (Fig. 1) consists of [Zn(dipya)(tpht)] complex units (dipya is 2,2’-dipyridylamine) and one solvent water molecule. There are two independent tphts: one tpht is coordinated as bis-monodentate and another as bis-chelate ligand. In this way, zigzag polymeric chains are formed (Fig. 2). The coordination geometry around Zn(II) atom can be described as deformed square pyramid. The water molecule is triply hydrogen bonded connecting even three adjacent chains and leading to the formation of 3D framework structure. Further stabilization of the structure occurs through edge-to-face C–H…π interactions among H atom from bis-monodentate tpht in one chain and aromatic ring from bis-chelate tpht in neighboring chain (H···Cg distance 2.892 Å). Crystal data: C72H60Zn4N12O20, Mr = 1674.8, monoclinic, space group P21/n, a = 9.875(2), b = 14.371(3), c = 12.264(3) Å, β = 95.87(3) o , V = 1731.3(6) Å3 , Z = 1, F(000) = 856, ρx = 1.606 g cm–3, μ (MoKα) = 1.455 mm–1. The refinement on F 2 (264 parameters) yielded R1 = 0.0478, wR2 = 0.0704, S = 1.043 for all data, and R1 = 0.0345 for 2604 observed reflections with I ≥ 2σ(I)., U metal-organskim umreženim strukturama anjoni tereftalne (1,4-benzendikarboksilne) kiseline, tpht2–, predstavljaju potencijalne polidentatne i mostovne ligande. COO– -grupe su najčešće koordinirane na mono-, bi- ili polidentatni način, dok je istovremeno prisustvo dva različito koordinirana tpht-jona veoma retko [1]. Kao nastavak naših ranijih istraživanja [2], hidrotermalnom sintezom dobijen je navedeni kompleks i okarakterisan rendgenskom strukturnom, elementarnom i TG/DSC analizom i IC-spektroskopijom. Struktura (sl. 1) se sastoji od [Zn(dipya)(tpht)] kompleksnih jedinki (dipya je 2,2’-dipiridilamin) i nekoordiniranog molekula vode. Postoje dva nezavisna tpht liganda: jedan je koordiniran kao bis-monodentatni, a drugi kao bis-helatni ligand. Na taj način se formiraju cik-cak polimerni lanci (sl. 2). Geometrija oko atoma Zn(II) može se opisati kao deformisana kvadratna piramida. Molekul vode gradi tri vodonične veze povezujući čak tri susedna lanca i formirajući 3D strukturu. Dalja stabilizacija strukture odvija se pomoću „edge-to-face” C–H...π interakcija između H-atoma bis-monodentatnog tpht u jednom lancu i aromatičnog prstena bis-helatnog tpht u susednom lancu (H···Cg rastojanje iznosi 2,892 Å). Kristalografski podaci: C72H60Zn4N12O20, Mr = 1674,8, monoklinični sistem, prostorna grupa P21/n, a = 9,875(2), b = 14,371(3), c = 12,264(3) Å, β = 95,87(3) o , V = 1731,3(6) Å3 , Z = 1, F(000) = 856, ρx = 1,606 g cm–3, μ (MoKα) = 1,455 mm–1. Utačnjavanje sa F 2 (264 parametara) dalo je R1 = 0,0478, wR2 = 0,0704, S = 1,043 za sve podatke, i R1 = 0,0345 za 2604 refleksija sa I ≥ 2σ(I).", publisher = "Beograd : Srpsko kristalografsko društvo", journal = "Izvodi radova / XXI konferencija Srpskog kristalografskog društva, Užice, 10-12. jun 2014", title = "ZIGZAG METAL-ORGANIC POLYMER: (2,2’-DIPYRIDYLAMINE)(TEREPHTALATO)ZINC(II) HYDRATE, CIK-CAK METAL-ORGANSKI POLIMER: (2,2’-DIPIRIDILAMIN)(TEREFTALATO)CINK(II)-HIDRAT", pages = "65-64", url = "https://hdl.handle.net/21.15107/rcub_technorep_6694" }
Radovanović, L., Poleti, D.,& Rogan, J.. (2014). ZIGZAG METAL-ORGANIC POLYMER: (2,2’-DIPYRIDYLAMINE)(TEREPHTALATO)ZINC(II) HYDRATE. in Izvodi radova / XXI konferencija Srpskog kristalografskog društva, Užice, 10-12. jun 2014 Beograd : Srpsko kristalografsko društvo., 64-65. https://hdl.handle.net/21.15107/rcub_technorep_6694
Radovanović L, Poleti D, Rogan J. ZIGZAG METAL-ORGANIC POLYMER: (2,2’-DIPYRIDYLAMINE)(TEREPHTALATO)ZINC(II) HYDRATE. in Izvodi radova / XXI konferencija Srpskog kristalografskog društva, Užice, 10-12. jun 2014. 2014;:64-65. https://hdl.handle.net/21.15107/rcub_technorep_6694 .
Radovanović, Lidija, Poleti, Dejan, Rogan, Jelena, "ZIGZAG METAL-ORGANIC POLYMER: (2,2’-DIPYRIDYLAMINE)(TEREPHTALATO)ZINC(II) HYDRATE" in Izvodi radova / XXI konferencija Srpskog kristalografskog društva, Užice, 10-12. jun 2014 (2014):64-65, https://hdl.handle.net/21.15107/rcub_technorep_6694 .