Crystal structure, vibrational studies and optical properties of a new organic phosphate (C12H14N2S) (H2PO4)2

Barhoumi, Abir; Suñol, J.J.; Belhouchet, Mohamed

doi:10.1016/j.molstruc.2018.06.115

Cited by 12 publications

(3 citation statements)

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“…When the temperature is raised to 480 K, a more pronounced peak appears at the 708 cm −1 position, caused by C-H off-plane bending. [3,[20][21][22][23] This phenomenon indicates that a substance with C-H bond is formed in urea under HPHT conditions. This substance is not available under normal pressure, and corresponds to the new peak at 21.80 • in the XRD pattern.…”

Section: Raman Detection Of Residual Urea Samplesmentioning

confidence: 90%

“…Today, urea is widely used as an industrial raw material, and its derivatives are used in fertilizers. [2][3][4][5][6][7] Urea is also a good organic catalyst, [1,3,4] and in recent years it has been used in the synthesis of mesoporous spinel NiCo 2 O 4 nanostructures, [5] hierarchical BiVO 4 /Bi 2 O 2 CO 3 nanocomposites with enhanced visible-light photocatalytic activity, [4] and nitrogen-doped graphene hydrogels. [8] The pyrolysis reaction of urea under normal pressure has been comprehensively studied, however, the characteristics of urea under high pressure have not yet been investigated.…”

Section: Introductionmentioning

confidence: 99%

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Characteristics of urea under high pressure and high temperature*

Fang¹,

Ma²,

Guo³

et al. 2019

Chinese Phys. B

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The properties of urea under high pressure and high temperature (HPHT) are studied using a China-type large volume cubic high-presentation apparatus (CHPA) (SPD-6 × 600). The samples are characterized by scanning electron microscopy (SEM), x-ray diffraction (XRD), and Raman spectroscopy. By directly observing the macroscopic morphology of urea with SEM, it is confirmed that the melting point of urea rises with the increase of pressure. The XRD patterns of urea residues derived under different pressures show that the thermal stability of urea also increases with the increase of pressure. The XRD pattern of the urea residue confirms the presence of C3H5N5O (ammeline) in the residue. A new peak emerges at 21.80°, which is different from any peak of all urea pyrolysis products under normal pressure. A more pronounced peak appears at 708 cm−1 in the Raman spectrum, which is produced by C–H off-plane bending. It is determined that the urea will produce a new substance with a C–H bond under HPHT, and the assessment of this substance requires further experiments.

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Section: Raman Detection Of Residual Urea Samplesmentioning

confidence: 90%

Section: Introductionmentioning

confidence: 99%

Characteristics of urea under high pressure and high temperature*

Fang¹,

Ma²,

Guo³

et al. 2019

Chinese Phys. B

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“…Material combinations of organic and inorganic offer a creative avenue for scientific exploration and novel industrial applications due to their easily prepared and molecularly tailored nature. Four critical themes include nanoscale and micrometer-sized organization, molecular engineering, the synthesis of inorganic-organic materials with bioactive ingredients, and the change from single-purpose to multipurpose hybrids [5][6][7][8][9][10][11][12][13][14][15][16][17][18][19][20][21][22][23][24]. The unique advantage of these hybrids lies in their ability to combine disparate qualities of inorganic and organic elements into a single substance, requiring chemical and thermal stability alongside mechanical strength.…”

Section: Introductionmentioning

confidence: 99%

Experimental and Theoretical Study of Hybrid Dihydrogen Phosphate System: Insights into Bulk Growth, Chemical Etching, Non-Linear Optical Properties, and Antimicrobial Activity

Rafik,

Lakhdar,

Zouihri

et al. 2024

Preprint

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The controlled slow evaporation process conducted at room temperature has yielded a novel hybrid material designated as (2-hydroxyethyl) trimethylammonium dihydrogen phosphate [2-HDETDHP] (C5H14NO+, H2PO4−), cultivated through the solution growth method. X-ray crystallography analysis indicates that the material adopts a triclinic structure with a filling rate of P\(\stackrel{-}{1}\)and a Z value of 2. This hybrid material exhibits significant absorption characteristics in the middle and far ultraviolet regions, UV-visible spectroscopy revealed that it remained transparent in the visible and near-visible ultraviolet domains. The various vibration modes were examined using FT-IR spectroscopy, and their relationships with the functional groups of the related structure were determined. Two- and three-dimensional fingerprint maps, along with three-dimensional using crystal Structures through Hirshfeld Surface Analysis, elucidate that O•••H and H•••H interactions dominate the structure, constituting the major proportions of 49.40% and 50.40%, respectively. Hirshfeld surfaces were employed to investigate intermolecular hydrogen bonding specifically within single phosphate groups. Fingerprint plots derived from the Hirshfeld surface were utilized to assess the pertinent percentages of hydrogen bonding interactions, with 80.6% of them being attributed to a fragment patch. This discovery holds potential implications for the future design and synthesis of large nonlinear optical (NLO) hybrid crystals.

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