Synthesis, crystal structure, DFT calculations, Hirshfeld surface, vibrational and optical properties of a novel hybrid non-centrosymmetric material (C10H15N2) …
Y Oueslati, S Kansız, A Valkonen, T Sahbani… - Journal of Molecular …, 2019 - Elsevier
This present work undertakes the study of a novel organic–inorganic hybrid material, which
has been obtained successfully by an acid-base reaction at room temperature and …
has been obtained successfully by an acid-base reaction at room temperature and …
First and second order hyperpolarizabilities of flavonol derivatives: A density functional theory study
In this study, seventeen flavonol derivatives (1–17) were evaluated with regard to their first-
and second-order hyperpolarizability parameters. For this purpose, the molecular …
and second-order hyperpolarizability parameters. For this purpose, the molecular …
Synthesis, crystallographic structure, theoretical calculations, spectral and thermal properties of trans-diaquabis (trans-4-aminoantipyrine) cobalt (II) acesulfamate
A new acesulfame derivative compound, trans-diaquabis (trans-4-aminoantipyrine) cobalt
(II) acesulfamate that formulated as (C 30 H 38 CoN 8 O 12 S 2) was synthesized and …
(II) acesulfamate that formulated as (C 30 H 38 CoN 8 O 12 S 2) was synthesized and …
The effect of complex formation on the static and frequency-dependent nonlinear optical properties: A combined experimental and theoretical investigation
A novel mixed ligand Mn (II) complex of 6-Bromopyridine-2-carboxylic acid (6Brpca) and 4,
4′-dimethyl-2, 2′-dipyridyl has been prepared and structurally characterized using single …
4′-dimethyl-2, 2′-dipyridyl has been prepared and structurally characterized using single …
Synthesis, characterization, carbonic anhydrase inhibitor activity, and docking studies of phenylthiazol-2 (3h)-ylidene-isoquinoline-5-amine Derivatives
Abstract Phenylthiazol-2 (3h)-ylidene-isoquinoline-5-amine derivatives (5a-r) were easily
prepared from 5-aminoisoquinoline, thioisocyanate, and phenacyl bromide derivatives in the …
prepared from 5-aminoisoquinoline, thioisocyanate, and phenacyl bromide derivatives in the …
Functional substituted Cu (II) Schiff base complexes, syntheses, X-ray and theoretical characterizations, and investigations of their polyphenol oxidase-and peroxidase …
Abstract Some Cu (II) Schiff base complexes were synthesized by a template reaction of
salicylaldehyde and amino ethanol or aminoethoxyethanol with Cu (OAc) 2. H 2 O in …
salicylaldehyde and amino ethanol or aminoethoxyethanol with Cu (OAc) 2. H 2 O in …
Utilizing molecular geometry, pKa, NMR, and IR data to assess the accuracy of quantum mechanics-derived thermodynamic parameters in evaluating antioxidant …
In the current scientific milieu, a plethora of studies explores the intricacies of unravelling the
antioxidant capacities inherent in novel compounds, employing the sophisticated tool of …
antioxidant capacities inherent in novel compounds, employing the sophisticated tool of …
A Research into Chiral Thiosemicarbazide Compound: XRD Analysis, Hirshfeld Surface Analysis, and Energy Framework
S Demir Kanmazalp, E Başaran… - Journal of Structural …, 2023 - Springer
The present work combined single-crystal XRD analysis, Hisrhfeld Analysis, and energy
framework analysis to interpret and comprehend the overall building of supramolecular …
framework analysis to interpret and comprehend the overall building of supramolecular …
Synthesis, Hirshfeld Surface, FTIR Analysis and Single Crystal X-Ray Structure of 2-Amino-3-Hydroxypyridinium Saccharinate
SD Kanmazalp, M Sagher, N Dege… - Journal of Structural …, 2023 - Springer
Abstract The title compound 2-amino-3-hydroxypyridinium saccharinate (AHPSAC) was
synthesized and the obtaining single crystal was characterized by elemental analysis, XRD …
synthesized and the obtaining single crystal was characterized by elemental analysis, XRD …
2-Formilpiridin N (4)-Metil Tiyosemikarbazon Ve 2-Asetilpiridin N (4)-Etil Tiyosemikarbazon Moleküllerinin Teorik Olarak İncelenmesi
GD Esmer, M Toprak, Ö Tamer - Düzce Üniversitesi Bilim ve …, 2023 - dergipark.org.tr
Bu çalışmada (HFo4M) 2-Formilpiridin N (4)-metil tiyosemikarbazon (C8H10N4S) ve
(HAc4E) 2-Asetilpiridin N (4)-etil tiyosemikarbazon (C10H14N4S) moleküllerinin yapısal …
(HAc4E) 2-Asetilpiridin N (4)-etil tiyosemikarbazon (C10H14N4S) moleküllerinin yapısal …