Search results for "Crystal"
showing 10 items of 22886 documents
CCDC 993834: Experimental Crystal Structure Determination
2014
Related Article: Inguna Goba, Baiba Turovska, Sergey Belyakov, Edvards Liepinsh|2014|J.Mol.Struct.|1074|549|doi:10.1016/j.molstruc.2014.06.044
Synthesis and characterization of ferrocene-based Schiff base and ferrocenecarboxaldehyde oxime and their adsorptive removal of methyl blue from aque…
2018
Abstract The ferrocene-based Schiff base 3 was synthetized by reaction of ferrocenecarboxaldehyde 1 with 4-aminoantipyrine 2. However, the reaction of 1 with hydroxylamine affords ferrocenecarboxaldehyde oxime 4. Compounds 3 and 4 were fully characterized by IR, 1H, 13C and DEPT-135 NMR spectroscopy, elemental analyses and also by single crystal X-ray diffraction. Compounds 3 and 4 were used to remove anionic methyl blue dye from wastewater. The results established that both compounds have high adsorption capacity towards methyl blue. Langmuir adsorption capacity of compound 4 (464 mmol/g) is much higher than that of compound 3 (193 mmol/g) at 25 °C. The kinetics data was fitted well pseudo…
Synthesis and characterization of ferrocene-based Schiff base and ferrocenecarboxaldehyde oxime and their adsorptive removal of methyl blue from aque…
2018
The ferrocene-based Schiff base 3 was synthetized by reaction of ferrocenecarboxaldehyde 1 with 4-aminoantipyrine 2. However, the reaction of 1 with hydroxylamine affords ferrocenecarboxaldehyde oxime 4. Compounds 3 and 4 were fully characterized by IR, 1H, 13C and DEPT-135 NMR spectroscopy, elemental analyses and also by single crystal X-ray diffraction. Compounds 3 and 4 were used to remove anionic methyl blue dye from wastewater. The results established that both compounds have high adsorption capacity towards methyl blue. Langmuir adsorption capacity of compound 4 (464 mmol/g) is much higher than that of compound 3 (193 mmol/g) at 25 °C. The kinetics data was fitted well pseudo-second-o…
CCDC 1831928: Experimental Crystal Structure Determination
2019
Related Article: Filip Topić, Katarina Lisac, Mihails Arhangelskis, Kari Rissanen, Dominik Cinčić, Tomislav Friščić|2019|Chem.Commun.|55|14066|doi:10.1039/C9CC06735C
Kalcīts un tā veidošanās apstākļi Franas stāva smilšakmeņos un dolomītos Latvijā
2019
Maģistra darbā “Kalcīts un tā veidošanās apstākļi Franas stāva smilšakmeņos un dolomītos Latvijā” raksturotas kalcīta fizikālās īpašības, ķīmiskais sastāvs un veidošanās apstākļi. Pētījumi veikti 16 Amatas, Pļaviņu, Daugavas un Stipinu svītas atradnēs un atsegumos. Dokumentēti ģeoloģiskie griezumi, pētītas kalcīta fluorescences izpausmes un citas fizikālās īpašības, attiecības ar smilšakmens un dolomīta komponentiem plānslīpējumos, noteikts kalcīta ķīmiskais sastāvs un oglekļa stabilo izotopu attiecības. Secināts, ka kalcīts Amatas svītas smilšakmeņos un Pļaviņu, Daugavas un Stipinu svītas dolomītos kristalizējies līdzīgos apstākļos – no atmosfēras izcelsmes pazemes ūdeņiem sauszemes apstāk…
Polymorphism and Metallic Behavior in BEDT-TTF Radical Salts with Polycyano Anions
2012
Up to five different crystalline radical salts have been prepared with the organic donor BEDT-TTF and three different polynitrile anions. With the polynitrile dianion tcpd2− (=C[C(CN)2]32−), two closely related radical salts: α'-(ET)4tcpd·THF (1) (THF = tetrahydrofurane) and α'-(ET)4tcpd·H2O (2) have been prepared, depending on the solvent used in the synthesis. With the mono-anion tcnoetOH− (=[(NC)2CC(OCH2CH2OH)C(CN)2]−) two polymorphs with similar physical properties but different crystal packings have been synthesized: θ-(ET)2(tcnoetOH) (3) and β''-(ET)2(tcnoetOH) (4). Finally, with the mono-anion tcnoprOH− (=[(NC)2CC(OCH2CH2CH2OH)C(CN)2]−) we have prepared a metallic…
Chemoselective, Substrate-directed Fluorination of Functionalized Cyclopentane β-Amino Acids
2016
This work describes a substrate-directed fluorination of some highly functionalized cyclopentane derivatives. The cyclic products incorporating CH2 F or CHF2 moieties in their structure have been synthesized from diexo- or diendo-norbornene β-amino acids following a stereocontrolled strategy. The synthetic study was based on an oxidative transformation of the ring carbon-carbon double bond of the norbornene β-amino acids, followed by transformation of the resulted "all cis" and "trans" diformyl intermediates by fluorination with "chemodifferentiation".
Magneto-structural correlations in discrete $Mn^{II}‐W^V$ cyano‐bridged assemblies with polyimine ligands
2010
We present the magneto-structural correlations for two novel discrete cyano-bridged assemblies based on cationic complexes of manganese(II) with diimine ligands and octacyanotungstate(V) ions. The crystal structure of [Mn II (terpy)(dmf)-(H 2 O) 2 ][Mn II (terpy)(H 2 O)(dmf)(μ-NC)W V (CN) 7 ] 2· 6H 2 O (1) (terpy = 2,2';6',2"-terpyridine, dmf = dimethylformamide) contains dinuclear {Mn II W V } - cyano-bridged anions, while the crystal structure of [Mn II (phen) 3 ] 2 [MnII(phen) 2 (μ-NC) 2 -W V (CN) 6 ] 2 (ClO 4 ) 2 ·9H 2 O (2) (phen = 1,10-phenanthroline) is built of tetranuclear {Mn II 2 W V 2} 2- square anions. Intramolecular Mn-W magnetic interactions through the cyano bridges are repr…
Performance Enhancement of a Small Animal Positron Emission Tomograph based on Continuous Crystals and Silicon Photomultipliers
2017
La tomografía por emisión de positrones (PET, por sus siglas en inglés) es una técnica de Medicina Nuclear que permite obtener de manera no invasiva imágenes funcionales “in vivo” marcando un compuesto orgánico con un emisor de positrones. Los tomógrafos PET requieren un alta resolución espacial y sensibilidad para estimar con precisión la distribución del radiotrazador en el animal. Frente a los bloques pixelados comúnmente utilizados en PET, los detectores que consisten en la combinación de cristales continuos acoplados a fotodetectores segmentados pueden ofrecer una mayor eficiencia y una alta resolución espacial. Esta última depende de la precisión de los algoritmos de determinación de …
Structures and energetic properties of 4-halobenzamides
2018
The amide bond represents one of the most fundamental functional groups in chemistry. The properties of amides are defined by amidic resonance (nN→π*C=O conjugation), which enforces planarity of the six atoms comprising the amide bond. Despite the importance of 4-halo-substituted benzamides in organic synthesis, molecular interactions and medicinal chemistry, the effect of 4-halo-substitution on the properties of the amide bond in N,N-disubstituted benzamides has not been studied. Herein, we report the crystal structures and energetic properties of a full series of 4-halobenzamides. The structures of four 4-halobenzamides (halo = iodo, bromo, chloro and fluoro) in the N-morpholinyl series h…