“…3.1) is characterized by an underlying complicated IR-spectroscopic pattern like other squaric acid derivatives [7][8][9][10][11][12][13][14]. However in this case the presence of the ammonium cation and H 2 O molecules, both possessing series of stretching and bending characteristic IR-bands, leads to strong overlapping of the bands especially in the 3,500-2,800 cm @1 region.…”
Section: Ir-ld Spectroscopic Datamentioning
confidence: 99%
“…As established in series of systematic crystallographic studies on the self-assembly of squarates and hydrogensquarates [1][2][3][4][5][6]. Detailed studied on the correlation of vibrational spectroscopic properties and structural motifs in squaric acid derivatives have been reported [7][8][9][10][11][12][13][14].…”
The structure of ammonium hydrogensquarate squaric acid monohydrate has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group C2/c and exhibits a 3D network with molecules linked by intermolecular interactions with participation of the H 2 Sq, HSq @ , NH 4 + , and H 2 O species. The HSq @ anion and the neutral H 2 Sq form a strong headto-tail dimer through O-HÁÁÁO hydrogen bonding with lengths of 2.587 and 2.494 Å (protected space between numeral and unit). The layers are connected by ammonium cations and water molecules in a plane through the OÁÁÁN (2.950, 2.978, 3.036 Å ) and OÁÁÁO (2.953, 2.781 Å ) bonds. Another such layer is connected to the NH 4 + cation in the adjacent plane through bifurcated N-HÁÁÁO hydrogenbonding to form a double layer (NHÁÁÁO bond lengths are 3. 036, 2.978, 2.857, 2.909, 2.958, and 2.742 Å , respectively). The IR-band assignment of the compound was achieved using the polarized IR-spectroscopy of oriented colloids in a nematic host. Theoretical ab initio calculations were performed and achieved with a view to explain the IR-bands of the H 2 Sq.HSq @ motif.
“…3.1) is characterized by an underlying complicated IR-spectroscopic pattern like other squaric acid derivatives [7][8][9][10][11][12][13][14]. However in this case the presence of the ammonium cation and H 2 O molecules, both possessing series of stretching and bending characteristic IR-bands, leads to strong overlapping of the bands especially in the 3,500-2,800 cm @1 region.…”
Section: Ir-ld Spectroscopic Datamentioning
confidence: 99%
“…As established in series of systematic crystallographic studies on the self-assembly of squarates and hydrogensquarates [1][2][3][4][5][6]. Detailed studied on the correlation of vibrational spectroscopic properties and structural motifs in squaric acid derivatives have been reported [7][8][9][10][11][12][13][14].…”
The structure of ammonium hydrogensquarate squaric acid monohydrate has been determined by single crystal X-ray diffraction. The compound crystallizes in the monoclinic space group C2/c and exhibits a 3D network with molecules linked by intermolecular interactions with participation of the H 2 Sq, HSq @ , NH 4 + , and H 2 O species. The HSq @ anion and the neutral H 2 Sq form a strong headto-tail dimer through O-HÁÁÁO hydrogen bonding with lengths of 2.587 and 2.494 Å (protected space between numeral and unit). The layers are connected by ammonium cations and water molecules in a plane through the OÁÁÁN (2.950, 2.978, 3.036 Å ) and OÁÁÁO (2.953, 2.781 Å ) bonds. Another such layer is connected to the NH 4 + cation in the adjacent plane through bifurcated N-HÁÁÁO hydrogenbonding to form a double layer (NHÁÁÁO bond lengths are 3. 036, 2.978, 2.857, 2.909, 2.958, and 2.742 Å , respectively). The IR-band assignment of the compound was achieved using the polarized IR-spectroscopy of oriented colloids in a nematic host. Theoretical ab initio calculations were performed and achieved with a view to explain the IR-bands of the H 2 Sq.HSq @ motif.
“…Figure displays the typical representatives reported so far, namely the title compound Na 2 Cu(C 2 O 4 ) 2 , Na 2 Cu(C 2 O 4 ) 2 · 2H 2 O, K 2 Cu(C 2 O 4 ) 2 , and K 2 Cu(C 2 O 4 ) 2 · 2H 2 O. The [Cu(C 2 O 4 ) 2 ] 2– units in K 2 Cu(C 2 O 4 ) 2 · 4H 2 O arrange in the same way as in Na 2 Cu(C 2 O 4 ) 2 · 2H 2 O, and those in Cu(HC 2 O 4 ) 2 · 3H 2 O and Rb 2 Cu(C 2 O 4 ) 2 · 2H 2 O the same as in K 2 Cu(C 2 O 4 ) 2 · 2H 2 O, thus not displayed in Figure . Cs 2 Cu(C 2 O 4 ) 2 · 2H 2 O no longer retains [Cu(C 2 O 4 ) 2 ] 2– building units due to extraordinarily large Cs + cation, thus also not taken into consideration.…”
Section: Resultsmentioning
confidence: 95%
“…[14][15][16][17][18][19] It is worth to point out that the stacking pattern of [Cu(C 2 O 4 ) 2 ] 2units in this compound is quite different from the known copper oxalates. Figure 3 displays [20] and Rb 2 Cu(C 2 O 4 ) 2 ·2H 2 O [21] the same as in K 2 Cu(C 2 O 4 ) 2 ·2H 2 O, thus not displayed in Figure 3. Cs 2 Cu(C 2 O 4 ) 2 ·2H 2 O [22] no longer retains [Cu(C 2 O 4 ) 2 ] 2building units due to extraordinarily large Cs + cation, thus also not taken into consideration.…”
A novel copper oxalate Na2Cu(C2O4)2 was synthesised through a hydrothermal method and characterized by single-crystal Xray diffraction. It crystallizes in monoclinic system, P21/n space group with a = 72578 (3)
“…Several papers on oxalato and hydrogenoxalato complexes have been reported [1][2][3][4][5][6], while only few hydrogenoxalato tin ones are known [7]. In this work we have synthesized four new hydrogenoxalato derivatives and adducts containing SnRn (R = Me, Ph and n = 2, 3) residues using the H3N(CH2)2NH3(HC2O4)2 .…”
The synthesis and spectroscopic studies (infrared and Mössbauer) of new hydrogenoxalato derivatives and adducts containing SnRn (R=Me, Ph; n=2, 3) residues are reported. Based on their spectroscopic data dimeric and polymeric structures containing hexacoordinated or pentacoordinated Sn are suggested, the hydrogenoxolate anion behaving as a monocoordinating or a monochelating ligand. In two studied adducts, supramolecular architectures may be obtained when extra hydrogen bonds involving the free NH groups are considered.
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