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Consideration of the Sample Eccentricity in the Measurement of Unit Cell Parameters of Small Single Crystals in Bond’s Scheme Implemented in Modern Diffractometers 在现代衍射仪中实现Bond方案测量小单晶单晶胞参数时样品偏心的考虑
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-27 DOI: 10.1134/S0022476624120102
A. L. Kudryavtsev, S. A. Gromilov
{"title":"Consideration of the Sample Eccentricity in the Measurement of Unit Cell Parameters of Small Single Crystals in Bond’s Scheme Implemented in Modern Diffractometers","authors":"A. L. Kudryavtsev,&nbsp;S. A. Gromilov","doi":"10.1134/S0022476624120102","DOIUrl":"10.1134/S0022476624120102","url":null,"abstract":"<p>We discuss the methodological questions of measuring unit cell parameters of small crystals in Bond’s scheme on a commercial diffractometer equipped with a three-circle goniometer and a 2D detector. The effect of the sample eccentricity on the positions of X-ray diffraction reflections during rotation about φ and ω axes is examined. The approach is developed to eliminate the effect of the sample eccentricity related to rotation about the φ axis by positioning one of the crystallographic directions along the ω axis. The unit cell parameters are measured for the reference Si and Ge single crystals used in this work with relative error Δ<i>a</i>/<i>a</i> no worse than 6.5·10<sup>–5</sup>.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 12","pages":"2466 - 2477"},"PeriodicalIF":1.2,"publicationDate":"2024-12-27","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142889500","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Structure, and Properties of Asymmetric Fluorinated Magnesium β-Diketonate Complexes 不对称氟化镁β-二酮酸配合物的合成、结构和性质
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110131
S. S. Krutskikh, D. V. Kochelakov, A. A. Nazarova, I. V. Korolkov, L. N. Zelenina, E. S. Vikulova
{"title":"Synthesis, Structure, and Properties of Asymmetric Fluorinated Magnesium β-Diketonate Complexes","authors":"S. S. Krutskikh,&nbsp;D. V. Kochelakov,&nbsp;A. A. Nazarova,&nbsp;I. V. Korolkov,&nbsp;L. N. Zelenina,&nbsp;E. S. Vikulova","doi":"10.1134/S0022476624110131","DOIUrl":"10.1134/S0022476624110131","url":null,"abstract":"<p>New complexes of magnesium with asymmetric fluorinated β-diketones are synthesized: pentafluoropropionyl (Hpfpac, 6,6,6,5,5-pentafluorohexane-2,4-dione) and heptafluorobutyrylacetone (Hhfbac, 7,7,7,6,6,5,5-heptafluoroheptane-2,4-dione). The [Mg(H<sub>2</sub>O)(EtOH)(pfpac)<sub>2</sub>] <b>1</b> and [Mg(H<sub>2</sub>O)<sub>2</sub>(hfbac)<sub>2</sub>]·H<sub>2</sub>O <b>2 </b>phases are characterized by a number of methods. The structures of crystals of <b>1</b>, <b>2</b>, and [Mg(EtOH)<sub>2</sub>(hfbac)<sub>2</sub>] <b>3 </b>are determined by the single crystal X-ray diffraction analysis. Magnesium atoms have a distorted octahedral environment, and neutral ligands are in the <i>trans</i>-position. Molecules are involved in systems of OH⋯O<sub>dik</sub> hydrogen bonds, forming layers (<b>2</b>) or chains (<b>1</b>, <b>3</b>). A relative evaluation shows that <b>2</b> is more volatile than <b>1</b>. Structures of molecules and packing characters are compared with those of a series of related β-diketonate complexes. The effect of an increase in the ligand perfluoroalkyl chain (L = tfac, trifluoroacetylacetonate ion), including isoformular [Mg(H<sub>2</sub>O)<sub>2</sub>(L)<sub>2</sub>]·H<sub>2</sub>O, is shown.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2260 - 2271"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761873","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Complexes of Rare Earth Metals with Bromine-Substituted (Benzoxazolyl)Naphtholate Ligands as Emissive Materials 稀土金属与溴取代（苯并恶唑）萘磺酸盐配体配合物的发射材料
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110064
D. M. Kuzyaev, T. V. Balashova, S. K. Polyakova, V. A. Ilichev, A. N. Yablonskiy, E. V. Baranov, G. K. Fukin, M. N. Bochkarev
{"title":"Complexes of Rare Earth Metals with Bromine-Substituted (Benzoxazolyl)Naphtholate Ligands as Emissive Materials","authors":"D. M. Kuzyaev,&nbsp;T. V. Balashova,&nbsp;S. K. Polyakova,&nbsp;V. A. Ilichev,&nbsp;A. N. Yablonskiy,&nbsp;E. V. Baranov,&nbsp;G. K. Fukin,&nbsp;M. N. Bochkarev","doi":"10.1134/S0022476624110064","DOIUrl":"10.1134/S0022476624110064","url":null,"abstract":"<p>A series of complexes [Ln(Np<sup>Br</sup>OON)<sub>3</sub>]<sub>2</sub> (Ln = Nd, Eu, Gd, Yb) were synthesized by the reaction of the corresponding lanthanide silylamides with 2-(2-benzoxazol-2-yl)-7-bromo-3-naphthol. The structure of the initial phenol, Eu and Yb complexes was established using X-ray diffraction analysis, which showed that the resulting compounds have a centrosymmetric dimeric structure. All the obtained complexes in the solid state upon excitation by light with a wavelength of 365 nm revealed ligand-centered photoluminescence (PL) in the visible region of 450-700 nm. The complexes of Nd and Yb in addition exhibit the metal-centered emission in the near-infrared (NIR) region of high intensity.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2175 - 2186"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761786","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis, Characterization, Molecular Modeling and Investigation of Biological Activity of the Novel Schiff Base (E)-2-(((4-Bromothiophen-2-Yl)Methylene)Amino)-5-Methylphenol 新型希夫碱（E)-2-（（4-溴噻吩-2-酰基）亚甲基）氨基）-5-甲基苯酚的合成、表征、分子模拟及生物活性研究
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110106
E. Kalem, Ş. Aşkar, N. K. Kınaytürk, T. Yeşilkaynak, E. Ağar, F. M. Emen
{"title":"Synthesis, Characterization, Molecular Modeling and Investigation of Biological Activity of the Novel Schiff Base (E)-2-(((4-Bromothiophen-2-Yl)Methylene)Amino)-5-Methylphenol","authors":"E. Kalem,&nbsp;Ş. Aşkar,&nbsp;N. K. Kınaytürk,&nbsp;T. Yeşilkaynak,&nbsp;E. Ağar,&nbsp;F. M. Emen","doi":"10.1134/S0022476624110106","DOIUrl":"10.1134/S0022476624110106","url":null,"abstract":"<p>The novel Schiff base derivative (<i>E</i>)-2-(((4-bromothiophen-2-yl)methylene)amino)-5-methylphenol (HL) was synthesized and characterized via FTIR, elemental analysis, UV-Vis, <sup>1</sup>H NMR and <sup>13</sup>C NMR techniques. Quantum chemical calculations were performed with the density functional theory at the B3LYP level with the 6-311++G(<i>d</i>,<i>p</i>) basis tuned in the gas phase of the isolated compounds in the ground state. The HL Schiff base crystallizes in the monoclinic crystal system with <i>C</i>2/<i>c</i> (no. 15) space group, <i>Z</i> = 8, <i>a</i> = 14.286(2) Å, <i>b</i> = 6.4736(9) Å, <i>c</i> = 26.256(4) Å. The thermal properties of HL Schiff base were investigated via DTA/TGA/TG curves. The antibacterial activity of the HL Schiff base against ESBL <i>E. coli</i> and MRSA was investigated. In the disk diffusion test, the zone of inhibition was determined against MRSA while it was not determined against ESBL <i>E.coli</i>. In addition, different levels of antibacterial activity were observed against all bacteria in the broth microdilution test.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2223 - 2241"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761868","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Application of a Novel Symmetric Benzophenone Derivative Schiff Base in Lyotropic Media and Spectroscopic Properties 一种新型对称二苯甲酮衍生物席夫碱在溶性介质中的应用及其光谱性质
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110167
A. Suhta, S. Meral, A. A. Ağar, B. Sütay, E. M. Vazquez Lopez, U. Çoruh
{"title":"Application of a Novel Symmetric Benzophenone Derivative Schiff Base in Lyotropic Media and Spectroscopic Properties","authors":"A. Suhta,&nbsp;S. Meral,&nbsp;A. A. Ağar,&nbsp;B. Sütay,&nbsp;E. M. Vazquez Lopez,&nbsp;U. Çoruh","doi":"10.1134/S0022476624110167","DOIUrl":"10.1134/S0022476624110167","url":null,"abstract":"<p>The structural and spectroscopic properties of a new –ONNO– type Schiff base were analyzed. The compound 6,6′-((1<i>E</i>,1′<i>E</i>)-(hexane-1,6-diylbis(azaneylylidene))bis(phenylmethaneylylidene))bis(3-(octyloxy) phenol) was synthesized by condensing a diamine and a ketone in tetrahydrofuran, resulting in a high yield. The symmetric Schiff base, in which both amine ends converted to the imine structure, was examined using XRD, NMR, IR and UV-Vis spectroscopies. The theoretical calculations were done successfully using DFT approach at 6-31G(<i>d</i>,<i>p</i>) basis set to investigate the properties of the title compound that cannot be studied by experimental analyses. NBO analysis was used to study hyper-conjugative interactions involving the overlap of σ or π electrons and electron density between adjacent atoms and to determine the stabilization energy. The DFT theoretical parameters and XRD experimental parameters were compared and showed good agreement. 2D fingerprint and 3D Hirshfeld surface plots were obtained to determine the intermolecular interactions. The features of the optimized structure were investigated by several analyses such: NBO, Frontier molecular orbitals, ESP, MEP and ECT which cannot be studied by theoretical methods. The UV-Vis spectroscopy was used to investigate the interaction of the synthesized benzophenone Schiff base compound with lyotropic media. The synthesized compound is significantly compatible with the prepared lyotropic medium due to its highly symmetrical and amphiphilic structure.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2295 - 2316"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761879","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Structure of Orthophosphoric Acid Hydrates and Equilibrium Composition of the H3PO4–H2O System According to IR Spectroscopy Data and Quantum Chemical Calculations 基于红外光谱数据和量子化学计算的正磷酸水合物结构及H3PO4-H2O体系平衡组成
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110015
E. G. Tarakanova, V. D. Maiorov, I. S. Kislina
{"title":"Structure of Orthophosphoric Acid Hydrates and Equilibrium Composition of the H3PO4–H2O System According to IR Spectroscopy Data and Quantum Chemical Calculations","authors":"E. G. Tarakanova,&nbsp;V. D. Maiorov,&nbsp;I. S. Kislina","doi":"10.1134/S0022476624110015","DOIUrl":"10.1134/S0022476624110015","url":null,"abstract":"<p>Composition, structure, energy parameters, and regions of existence of hydrate complexes formed in the H<sub>3</sub>PO<sub>4</sub>–H<sub>2</sub>O system are determined by IR spectroscopy and quantum chemical methods. It is established that dilute solutions up to the 1:5 molar component ratio contain hydrates bearing one orthophosphoric acid molecule. In solutions with H<sub>3</sub>PO<sub>4</sub>:H<sub>2</sub>O ≤ 1:6, the main structural unit is the H<sub>3</sub>PO<sub>4</sub>·6H<sub>2</sub>O complex with a completely filled first hydration shell. Concentrated solutions (1:4-1:0) contain H-bonded 2H<sub>3</sub>PO<sub>4</sub>·<i>n</i>H<sub>2</sub>O complexes (<i>n</i> = 1-8), each having a cycle of two acid molecules. Pure phosphoric acid is composed of the fragments of polymer chains made up of 2H<sub>3</sub>PO<sub>4</sub> dimers as the chain links. Changes in the IR spectra of H<sub>3</sub>PO<sub>4</sub>–H<sub>2</sub>O solutions in the whole concentration range are explained using the calculated data for the structure of mH<sub>3</sub>PO<sub>4</sub>·<i>n</i>H<sub>2</sub>O hydrates.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2121 - 2134"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761839","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Properties of Molecular Electron Density Functionals 分子电子密度泛函的性质
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110118
B. K. Novosadov
{"title":"Properties of Molecular Electron Density Functionals","authors":"B. K. Novosadov","doi":"10.1134/S0022476624110118","DOIUrl":"10.1134/S0022476624110118","url":null,"abstract":"<p>Properties of molecular electron density functionals are studied. The Kohn potential can be considered as the potential density of the system′s particles whose integration gives the energy of the molecule′s quantum state. Unambiguous expressions for molecular electron energies are obtained in the form of the Kohn potential integrals using a simplified wave density model based on the nuclear wave density isolation. A one-electron Schrödinger equation with an effective potential for calculating molecular orbitals is presented. The equation can be used to calculate 3D electron density of molecules in ground and excited states.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2242 - 2249"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761874","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Synthesis and Structures of 5-(2,4-Dichlorophenyl)-1,3,4-Oxadiazole-2-Thione Alkyl Derivatives and Estimation of the Aromaticity of the Oxadiazole Ring 5-（2,4-二氯苯基）-1,3,4-恶二唑-2-硫酮烷基衍生物的合成、结构及恶二唑环芳香性的评价
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110179
R. Ya. Okmanov, U. S. Makhmudov, A. A. Ziyaev, T. T. Toshmurodov, B. Tashkhodzhaev, A. G. Eshimbetov, Kh. U. Khodjaniyazov
{"title":"Synthesis and Structures of 5-(2,4-Dichlorophenyl)-1,3,4-Oxadiazole-2-Thione Alkyl Derivatives and Estimation of the Aromaticity of the Oxadiazole Ring","authors":"R. Ya. Okmanov,&nbsp;U. S. Makhmudov,&nbsp;A. A. Ziyaev,&nbsp;T. T. Toshmurodov,&nbsp;B. Tashkhodzhaev,&nbsp;A. G. Eshimbetov,&nbsp;Kh. U. Khodjaniyazov","doi":"10.1134/S0022476624110179","DOIUrl":"10.1134/S0022476624110179","url":null,"abstract":"<p>A series of 5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2-thione alkyl derivatives are obtained. Structures of the products are determined from the IR, UV, <sup>1</sup>H and <sup>13</sup>C NMR spectroscopic results together with single crystal X-ray diffraction (XRD). The aromaticity of the 1,3,4-oxadiazole ring is estimated by single crystal XRD and DFT calculations using the Multiwfn program package. It is found that in <i>S</i>-derivatives, the π electron system is redistributed in the pseudo-aromatic 1,3,4-oxadiazole-2-thione moiety relative to initial 5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2(3<i>H</i>)-thione. In the <i>S</i>-derivatives of 5-(2,4-dichlorophenyl)-1,3,4-oxadiazole-2-thione the aromaticity of the 1,3,4-oxadiazole heterocycle is lower than that in <i>N</i>3-derivatives.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2317 - 2326"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761877","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
A Probe Molecule Based on 1,3,4-Oxadiazole Constructed for Crystal Structure Analysis and Sn4+ Identification 基于1,3,4-恶二唑的探针分子用于晶体结构分析和Sn4+鉴定
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S002247662411012X
Y. Zhou, S. -Y. Feng, D. -H. Zhang
{"title":"A Probe Molecule Based on 1,3,4-Oxadiazole Constructed for Crystal Structure Analysis and Sn4+ Identification","authors":"Y. Zhou,&nbsp;S. -Y. Feng,&nbsp;D. -H. Zhang","doi":"10.1134/S002247662411012X","DOIUrl":"10.1134/S002247662411012X","url":null,"abstract":"<p>In order to develop the application of 1,3,4-oxadiazole compounds in the direction of fluorescent probes, we modified the probes by introducing 2-(bromomethyl)pyridine on the amino group of 1,3,4-oxadiazole derivatives, and synthesized HL1(2-(5-(2-aminophenyl)-1,3,4-oxadiazol-2-yl)-N-(pyridin-2-ylmethyl)aniline). Its structure was characterized by NMR, HRMS and single crystal X-ray diffraction. The weak interaction of HL1 was analyzed by using Multiwfn to draw Hirshfeld surface. The HOMO and LUMO orbitals of HL1 were analyzed in B3LYP/6-311++G basis set using DFT theory. HL1 is highly selective to Sn<sup>4+</sup> in ACN, LOD = 5.08∙10<sup>–7</sup> M, Ka = 1.73∙103M<sup>–1</sup>.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2250 - 2259"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761876","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
Experimental Studies of Schiff Base (E)-4-Methoxy-2-(((2-Phenoxyphenyl)Imino)-Methyl) Phenol Compound with Various Spectroscopic Methods 希夫碱（E)-4-甲氧基-2-（（2-苯氧基）亚氨基）-甲基）苯酚化合物的光谱研究
IF 1.2 4区 化学
Journal of Structural Chemistry Pub Date : 2024-12-02 DOI: 10.1134/S0022476624110076
E. Güzel, U. Coruh, N. Duteanu, C. Cicek, E. Agar, E. M. Vazquez Lopez, M. Yavuz
{"title":"Experimental Studies of Schiff Base (E)-4-Methoxy-2-(((2-Phenoxyphenyl)Imino)-Methyl) Phenol Compound with Various Spectroscopic Methods","authors":"E. Güzel,&nbsp;U. Coruh,&nbsp;N. Duteanu,&nbsp;C. Cicek,&nbsp;E. Agar,&nbsp;E. M. Vazquez Lopez,&nbsp;M. Yavuz","doi":"10.1134/S0022476624110076","DOIUrl":"10.1134/S0022476624110076","url":null,"abstract":"<p>Schiff-based compounds, which represent an important class in the field of organic compounds, form the basis of this research article. This research article aims to investigate the synthesized compound (<i>E</i>)-4-methoxy-2-(((2-phenoxyphenyl) imino) methyl) phenol using experimental methods. FTIR, UV-Vis, 13C and 1H nuclear magnetic resonance (NMR) spectroscopy and X-ray diffraction methods were used to elucidate the structural properties of the compound synthesized at the end of chemical processes. The structure solution was carried out from the data obtained as a result of X-ray analysis. According to these results, one of the two compounds in the asymmetric cell completed their formation in the enol-imine form and the other in the keto-amine form. This structural situation, which is rare in the literature, was supported and explained by FTIR, 13C and 1H NMR spectroscopy studies. According to the results obtained as a result of UV-Vis spectroscopy, the structure revealed that the enol-imine form was dominant. The reasons for this situation were explained.</p>","PeriodicalId":668,"journal":{"name":"Journal of Structural Chemistry","volume":"65 11","pages":"2187 - 2197"},"PeriodicalIF":1.2,"publicationDate":"2024-12-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"142761785","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":4,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
引用次数: 0
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