Crystal growth, morphological, mechanical, spectroscopic studies, optical properties, molecular docking, ADME/T, Hirshfeld surfaces analysis and theoretical …
Molecular organic–inorganic single crystals of 4-carboxyanilinium dihydrogenphosphate [4-
CADP] have been grown by the slow evaporation technique. The crystal structure was re …
CADP] have been grown by the slow evaporation technique. The crystal structure was re …
A combined experimental and DFT computations study of novel (E)-3-(benzofuran-2-yl)-2-(thiophen-2-yl) acrylonitrile (TACNBNF): Insight into the synthesis, single …
Abstract The synthesized (E)-3-(benzofuran-2-yl)-2-(thiophen-2-yl) acrylonitrile (TACNBNF)
crystal compound was characterized using FT-IR, 1 H and 13 C NMR analyses, ESI-mass …
crystal compound was characterized using FT-IR, 1 H and 13 C NMR analyses, ESI-mass …
Synthesis, growth, structure and nonlinear optical properties of a semiorganic 2-carboxy pyridinium dihydrogen phosphate single crystal
A new semiorganic compound namely, 2-carboxy pyridinium dihydrogen phosphate
(2CPDP) was synthesised and grown as single crystals by slow evaporation solution growth …
(2CPDP) was synthesised and grown as single crystals by slow evaporation solution growth …
Synthesis, growth, structure, mechanical and optical properties of a new semi-organic 2-methyl imidazolium dihydrogen phosphate single crystal
P Nagapandiselvi, C Baby… - Materials Research Bulletin, 2016 - Elsevier
A new semi-organic compound, 2-methyl imidazolium dihydrogen phosphate (2MIDP), was
prepared and good quality single crystals of 2MIDP were grown by slow evaporation …
prepared and good quality single crystals of 2MIDP were grown by slow evaporation …
Synthesis, structural, hirshfeld, spectral, thermal, Z-scan analysis and computational studies of 4-chloroanilinium quinoline-2-carboxylate (4CQ)
chloroanilinium quinoline-2-carboxylate (C 6 H 7 ClN+. C 10 H 6 NO 2−), a new organic salt
was prepared and productively achieved as single crystal with diffraction feature by …
was prepared and productively achieved as single crystal with diffraction feature by …
Nonlinear optical organic–inorganic crystals: synthesis, structural analysis and verification of harmonic generation in tri-(o-chloroanilinium nitrate)
The structural and nonlinear optical properties of a new anilinium hybrid crystal of chemical
formula (C6H7NCl+· NO3−) 3 have been investigated. The crystal structure was determined …
formula (C6H7NCl+· NO3−) 3 have been investigated. The crystal structure was determined …
Syntheses and structure characterization of ten acid-base hybrid crystals based on imidazole derivatives and mineral acids
K Hu, B Deng, S **, A Ding, S **, J Zhu… - Journal of Molecular …, 2018 - Elsevier
Cocrystallization of the imidazole derivatives with a series of mineral acids gave a total of ten
hybrid salts with the compositions:[(H 2 bzm)(Cl) 2· 3H 2 O](1),[(H 2 bzm)(ClO 4) 2](2),[(H 2 …
hybrid salts with the compositions:[(H 2 bzm)(Cl) 2· 3H 2 O](1),[(H 2 bzm)(ClO 4) 2](2),[(H 2 …
Studies on the crystal growth and optical properties of novel organic material: o-Phenylenediaminium bis-hydrogen phosphonate
Abstract o-Phenylenediaminium bis-hydrogen phosphonate (P2HP) was synthesized and
single crystals were grown by slow evaporation method. The crystal structure, crystalline …
single crystals were grown by slow evaporation method. The crystal structure, crystalline …
Hirshfeld surface analysis and quantum chemical study of molecular structure of phosphate
A Rafik, H Zouihri, T Guedira - Bulletin of the Chemical Society of Ethiopia, 2021 - ajol.info
In this present study, Density fuctional theoretical computations are performed at (B3LYP,
PBEPBE), HF and MP2 level with 3-21G basis sets to derive optimized geometry and …
PBEPBE), HF and MP2 level with 3-21G basis sets to derive optimized geometry and …
A combined experimental and quantum chemical analysis of 3,3′-diaminodipropylamine–dihydrogenphosphate hybrid compound: [H3(C6H17N3)][(H2PO4)3]
An organoammonium-dihydrogenphosphate compound,[H3 (DADP)][(H2PO4) 3], DADP= 3,
3′-diaminodipropylamine was synthesized and characterized. The crystal structure …
3′-diaminodipropylamine was synthesized and characterized. The crystal structure …