Sb4O5Br2 crystallizes plate‐shaped in the monoclinic space group P21/c with the lattice parameters a=660.82(5) pm, b=513.71(4) pm, c=1346.35(9) pm and β=97.876(3)° for Z=2. Its crystal structure contains {[Sb4O5]2+} layers with connected [(Sb1)O3+1]5− ψ1‐units and undisturbed pyramidal [(Sb2)O3]3− ψ1‐units, where the free electron pair is counted as a pseudo‐ligand (ψ). The bromide anions required for charge compensation of these cationic {[Sb4O5]2+} layers form single sheets and are only bonded via van‐der‐Waals interactions in this crystal structure, as the nearest distance to antimony cations is at least 300 pm. NdSb2O4Br crystallizes plate‐shaped in the monoclinic space group P21/c as well, but with the lattice parameters a=896.24(6) pm, b=801.16(5) pm, c=799.27(5) pm and β=92.129(3)° for Z=4. The [NdO8]13− polyhedra are linked to each other via four edges and thus form fluorite‐related layers {[NdO ]5−}, which run parallel to the (100) plane. The [SbO3]3− anions share vertices to build chains {[SbO O ]−} along [001], which align parallel within the (100) plane. The isolated Br− anions arrange in layers and show a minimum distance of 319 pm to the next Sb3+ cation. ErSb2O4Br crystallizes plate‐shaped in the non‐centrosymmetric tetragonal space group P4212 with the lattice parameters a=774.76(4) pm, c=899.53(6) pm and c/a=1.161 for Z=4. The erbium‐oxygen environment appears to be roughly the same as in NdSb2O4Br, so the main difference is the linkage of the ψ1‐[SbO3]3− units. Four of these [SbO3]3− anions assemble in a ring structure {[Sb4O8]4−} by sharing corners. Layers of rings are located in the (001) plane and almost planar bromide‐anion slabs assemble between the antimony‐oxygen layers. In this article, all three crystal structures are compared with each other and single‐crystal Raman spectra were recorded and analyzed for NdSb2O4Br and ErSb2O4Br.
{"title":"LnSb2O4Br (Ln=Nd and Er) and Sb4O5Br2: Lanthanoid‐Bearing and ‐Free Antimony(III) Oxide Bromides","authors":"R. Locke, Maria Weis, Thomas Schleid","doi":"10.1002/zaac.202300243","DOIUrl":"https://doi.org/10.1002/zaac.202300243","url":null,"abstract":"Sb4O5Br2 crystallizes plate‐shaped in the monoclinic space group P21/c with the lattice parameters a=660.82(5) pm, b=513.71(4) pm, c=1346.35(9) pm and β=97.876(3)° for Z=2. Its crystal structure contains \u0000{[Sb4O5]2+} layers with connected [(Sb1)O3+1]5− ψ1‐units and undisturbed pyramidal [(Sb2)O3]3− ψ1‐units, where the free electron pair is counted as a pseudo‐ligand (ψ). The bromide anions required for charge compensation of these cationic \u0000{[Sb4O5]2+} layers form single sheets and are only bonded via van‐der‐Waals interactions in this crystal structure, as the nearest distance to antimony cations is at least 300 pm. NdSb2O4Br crystallizes plate‐shaped in the monoclinic space group P21/c as well, but with the lattice parameters a=896.24(6) pm, b=801.16(5) pm, c=799.27(5) pm and β=92.129(3)° for Z=4. The [NdO8]13− polyhedra are linked to each other via four edges and thus form fluorite‐related layers \u0000{[NdO\u0000]5−}, which run parallel to the (100) plane. The [SbO3]3− anions share vertices to build chains \u0000{[SbO\u0000O\u0000]−} along [001], which align parallel within the (100) plane. The isolated Br− anions arrange in layers and show a minimum distance of 319 pm to the next Sb3+ cation. ErSb2O4Br crystallizes plate‐shaped in the non‐centrosymmetric tetragonal space group P4212 with the lattice parameters a=774.76(4) pm, c=899.53(6) pm and c/a=1.161 for Z=4. The erbium‐oxygen environment appears to be roughly the same as in NdSb2O4Br, so the main difference is the linkage of the ψ1‐[SbO3]3− units. Four of these [SbO3]3− anions assemble in a ring structure \u0000{[Sb4O8]4−} by sharing corners. Layers of rings are located in the (001) plane and almost planar bromide‐anion slabs assemble between the antimony‐oxygen layers. In this article, all three crystal structures are compared with each other and single‐crystal Raman spectra were recorded and analyzed for NdSb2O4Br and ErSb2O4Br.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141268915","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Sebastian Egner, Oluseun Akintola, Winfried Plass, Phil Liebing, Nils Schlörer, Gerald Hörner, Birgit Weber
The combination of planar‐directing, strong‐field [N4] ligands with a weak axial field component is known to stabilize five‐coordinate iron(III) complexes in otherwise uncommon spin states. In this work, a series of axially perturbed iron(III) complexes of an [N4] macrocyclic ligand of the Jäger type, [Fe(L)X] (with X: Cl, Br, I, NCS) gave intermediate‐spin ground states with axially steered admixture of the high‐spin state, S = 3/2; 5/2. The nature of the electronic ground‐state as deduced from SQUID magnetometry, 57Fe Mössbauer spectroscopy in the solid, and 1H NMR and EPR spectroscopies in (frozen) solutions was discussed in the light of the solid‐state structures, which were obtained from single‐crystal X‐ray diffraction. A DFT‐based protocol was established to quantify the axial field effects and, by including relevant [N4] systems, predict the differential equatorial ligand field components.
{"title":"Axial Perturbation of Intermediate Spin (S = 3/2) Iron(III) Complexes with Square Pyramidal N4X Coordination: Solid State Structures and Electronic Properties","authors":"Sebastian Egner, Oluseun Akintola, Winfried Plass, Phil Liebing, Nils Schlörer, Gerald Hörner, Birgit Weber","doi":"10.1002/zaac.202400061","DOIUrl":"https://doi.org/10.1002/zaac.202400061","url":null,"abstract":"The combination of planar‐directing, strong‐field [N4] ligands with a weak axial field component is known to stabilize five‐coordinate iron(III) complexes in otherwise uncommon spin states. In this work, a series of axially perturbed iron(III) complexes of an [N4] macrocyclic ligand of the Jäger type, [Fe(L)X] (with X: Cl, Br, I, NCS) gave intermediate‐spin ground states with axially steered admixture of the high‐spin state, S = 3/2; 5/2. The nature of the electronic ground‐state as deduced from SQUID magnetometry, 57Fe Mössbauer spectroscopy in the solid, and 1H NMR and EPR spectroscopies in (frozen) solutions was discussed in the light of the solid‐state structures, which were obtained from single‐crystal X‐ray diffraction. A DFT‐based protocol was established to quantify the axial field effects and, by including relevant [N4] systems, predict the differential equatorial ligand field components.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-06-03","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141271054","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The unique site substitution of Zn in the structure of tetragonal and atomically ordered Cu6Zn2Sb2, followed by the formation of Cu5Zn3Sb2, has been addressed from fundamental perspectives. First principles energy calculations, and semi‐empirical electronic structure calculations using the density of states, crystal orbital Hamilton population, crystal orbital bond index and Mulliken population analysis were performed to understand the observed substitution pattern and the narrow homogeneity range of the titled compound. Mulliken and Löwdin’s approach of charge analysis explain the experimentally proved ‘coloring’ based on the ‘site energy’ argument. The concept of ‘topological charge stabilization’ has been introduced in this context. Valence electron concentration and the optimization of the partially covalent Cu‐Sb interactions also play pivotal role in the electronic stability of the titled phase.
{"title":"A Fundamental Perspective on the Selective Zn Substitution in Ternary Ordered Intermetallic Compound Cu 6 Zn 2 Sb 2","authors":"Nilanjan Roy","doi":"10.1002/zaac.202400030","DOIUrl":"https://doi.org/10.1002/zaac.202400030","url":null,"abstract":"The unique site substitution of Zn in the structure of tetragonal and atomically ordered Cu6Zn2Sb2, followed by the formation of Cu5Zn3Sb2, has been addressed from fundamental perspectives. First principles energy calculations, and semi‐empirical electronic structure calculations using the density of states, crystal orbital Hamilton population, crystal orbital bond index and Mulliken population analysis were performed to understand the observed substitution pattern and the narrow homogeneity range of the titled compound. Mulliken and Löwdin’s approach of charge analysis explain the experimentally proved ‘coloring’ based on the ‘site energy’ argument. The concept of ‘topological charge stabilization’ has been introduced in this context. Valence electron concentration and the optimization of the partially covalent Cu‐Sb interactions also play pivotal role in the electronic stability of the titled phase.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141273341","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
The ternary amide Na2Ba(NH2)4 was synthesized at ammonothermal conditions (870 K, 135 MPa) in custom‐built high‐pressure autoclaves. The compound was structurally characterized using X‐ray diffraction and crystallizes in space group Pccn (no. 56) with lattice parameters a = 10.6492(2), b = 7.8064(2) and c = 8.1046(2) Å. To the best of our knowledge, the structure type has not yet been observed in any ternary amide before and can be described as a defective variant of the NaCl structure type. The presence of amide ions in the compound is verified by Fourier‐transform infrared (FTIR) spectroscopy and the experimental spectrum is compared to the theoretical spectrum obtained through density functional theory (DFT) calculations. Na2Ba(NH2)4 complements the range of reported ternary alkali metal alkaline‐earth metal amides with the smallest Shannon radius ratio of rA/AE = 0.76. The influence of this ratio on the formation of the new structure type is discussed as well. The characterization of intermediate species such as this ternary amide extends the understanding of the ammonothermal synthesis and can be useful for synthetic control in the formation of nitrides at ammonothermal conditions.
三元酰胺 Na2Ba(NH2)4 是在氨热条件下（870 K，135 MPa）在定制高压釜中合成的。该化合物采用 X 射线衍射法进行了结构表征，其晶体为空间群 Pccn（编号 56），晶格参数 a = 10.6492(2)、b = 7.8064(2)和 c = 8.1046(2)埃。据我们所知，这种结构类型以前从未在任何三元酰胺中观察到过，可以说是 NaCl 结构类型的缺陷变体。傅立叶变换红外光谱（FTIR）验证了化合物中酰胺离子的存在，并将实验光谱与通过密度泛函理论（DFT）计算得到的理论光谱进行了比较。Na2Ba(NH2)4 以最小的香农半径比 rA/AE = 0.76 补充了已报道的碱金属-土金属三元酰胺的范围。我们还讨论了这一比率对新结构类型形成的影响。对这种三元酰胺等中间产物的表征扩展了对氨热合成的理解，有助于在氨热条件下形成氮化物的合成控制。
{"title":"Ammonothermal Synthesis and Crystal Structure of the Ternary Amide Na2Ba(NH2)4","authors":"F. M. Engelsberger, Kristian Witthaut, W. Schnick","doi":"10.1002/zaac.202400053","DOIUrl":"https://doi.org/10.1002/zaac.202400053","url":null,"abstract":"The ternary amide Na2Ba(NH2)4 was synthesized at ammonothermal conditions (870 K, 135 MPa) in custom‐built high‐pressure autoclaves. The compound was structurally characterized using X‐ray diffraction and crystallizes in space group Pccn (no. 56) with lattice parameters a = 10.6492(2), b = 7.8064(2) and c = 8.1046(2) Å. To the best of our knowledge, the structure type has not yet been observed in any ternary amide before and can be described as a defective variant of the NaCl structure type. The presence of amide ions in the compound is verified by Fourier‐transform infrared (FTIR) spectroscopy and the experimental spectrum is compared to the theoretical spectrum obtained through density functional theory (DFT) calculations. Na2Ba(NH2)4 complements the range of reported ternary alkali metal alkaline‐earth metal amides with the smallest Shannon radius ratio of rA/AE = 0.76. The influence of this ratio on the formation of the new structure type is discussed as well. The characterization of intermediate species such as this ternary amide extends the understanding of the ammonothermal synthesis and can be useful for synthetic control in the formation of nitrides at ammonothermal conditions.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-06-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141273955","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
{"title":"Front Cover: On the Equilibrium of Mono‐ and Dinuclear Cu(II) Dimethylglyoxime Complexes and its Exploitation for the Simple Preparation of Cu(I) Salts [Cu(CH3CN)4]X (X=ClO4−, BF4−, OTf−) (Z. Anorg. Allg. Chem. 9‐10/2024)","authors":"Raphael I. Petrikat, Thomas Frick, Sabine Becker","doi":"10.1002/zaac.202480901","DOIUrl":"https://doi.org/10.1002/zaac.202480901","url":null,"abstract":"","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-06-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194802","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
This work successfully fabricated a novel CNWs/Ni2Si/SiOC nanocomposite ceramic material using a single‐source‐precursor derived ceramic approach. The material exhibits in‐situ formation of carbon nanowires (CNWs) and multiple core‐shell nanoparticles such as Ni2Si@C and SiC@C. The reaction mechanism of the precursor, the microstructure and phase composition, and the ceramics′ electromagnetic wave (EMW) absorbing properties were thoroughly investigated and discussed. The obtained CNWs/Ni2Si/SiOC nanocomposite ceramics possesses a minimum reflection loss (RLmin) of −43.5 dB, indicating excellent EMW absorbing performance. The in‐situ formation of CNWs and multi‐core‐shell nanoparticles (Ni2Si@C and SiC@C) in the ceramics play a crucial role in enhancing their EMW absorbing properties compared to pure SiOC ceramics.
{"title":"Electromagnetic Wave Absorption Properties of Single‐Source‐Precursor Derived CNWs/Ni2Si/SiOC Nanocomposites","authors":"Ting Chen, Hanzi Du, Ralf Riedel, Zhaoju Yu","doi":"10.1002/zaac.202300236","DOIUrl":"https://doi.org/10.1002/zaac.202300236","url":null,"abstract":"This work successfully fabricated a novel CNWs/Ni<jats:sub>2</jats:sub>Si/SiOC nanocomposite ceramic material using a single‐source‐precursor derived ceramic approach. The material exhibits <jats:italic>in‐situ</jats:italic> formation of carbon nanowires (CNWs) and multiple core‐shell nanoparticles such as Ni<jats:sub>2</jats:sub>Si@C and SiC@C. The reaction mechanism of the precursor, the microstructure and phase composition, and the ceramics′ electromagnetic wave (EMW) absorbing properties were thoroughly investigated and discussed. The obtained CNWs/Ni<jats:sub>2</jats:sub>Si/SiOC nanocomposite ceramics possesses a minimum reflection loss (RLmin) of −43.5 dB, indicating excellent EMW absorbing performance. The <jats:italic>in‐situ</jats:italic> formation of CNWs and multi‐core‐shell nanoparticles (Ni<jats:sub>2</jats:sub>Si@C and SiC@C) in the ceramics play a crucial role in enhancing their EMW absorbing properties compared to pure SiOC ceramics.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141189324","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Jesvita Cardozo, Ouchan He, Wanli Ma, Kallol Ray, Thomas Braun
A [(POCN)Ir(H)(OAc)] complex bearing an iminophosphinite pincer ligand was synthesized. The complex showed catalytic transfer dehydrogenation of various linear and cyclic alkanes with reasonable conversions and a maximum TON of 400 for n‐octane. A catalytic isomerization of 1‐octene to yield internal octenes was also possible. It is notable that the catalyst could perform catalytic transfer dehydrogenation even at a temperature of 100 °C with a TON of 100.
合成了一种带有亚氨基膦钳配体的[(POCN)Ir(H)(OAc)]配合物。该配合物对各种线性和环状烷烃具有催化转移脱氢作用，转化率合理，对正辛烷的最大转化率为 400。还可以催化 1-辛烯的异构化反应，生成内辛烯。值得注意的是，即使在 100 °C 的温度下，该催化剂也能进行催化转移脱氢反应，吨当量为 100。
{"title":"An Iminophosphinite Pincer Iridium Complex: Synthesis and Catalytic Tool for Alkane Transfer Dehydrogenations","authors":"Jesvita Cardozo, Ouchan He, Wanli Ma, Kallol Ray, Thomas Braun","doi":"10.1002/zaac.202400028","DOIUrl":"https://doi.org/10.1002/zaac.202400028","url":null,"abstract":"A [(POCN)Ir(H)(OAc)] complex bearing an iminophosphinite pincer ligand was synthesized. The complex showed catalytic transfer dehydrogenation of various linear and cyclic alkanes with reasonable conversions and a maximum TON of 400 for n‐octane. A catalytic isomerization of 1‐octene to yield internal octenes was also possible. It is notable that the catalyst could perform catalytic transfer dehydrogenation even at a temperature of 100 °C with a TON of 100.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-31","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141194658","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Molecular structures and properties of molecular silicon clusters and oligo/polysilanes depend on the substituents on the silicon skeletons. Herein, we report the synthesis of new bicyclo[1.1.1]pentasilanes (BPS) having various alkyl substituents (ethyl, iBu, or 2‐ethylbutyl) at the bridge silicon atoms. All new BPS are characterized by NMR spectroscopy, MS spectrometry, and single crystal X‐ray diffraction (sc‐XRD) analysis. Introduction of longer alkyl groups and unsymmetrical substitution of alkyl groups at the bridge positions on the BPS skeleton substantially improve the solubility toward organic solvents, while the electronic properties are similar to each other.
分子硅簇和低聚/多聚硅烷的分子结构和性质取决于硅骨架上的取代基。在此，我们报告了在桥硅原子上具有各种烷基取代基（乙基、iBu 或 2-乙基丁基）的新型双环[1.1.1]五硅烷（BPS）的合成。所有新型 BPS 均通过核磁共振光谱、质谱分析和单晶 X 射线衍射（sc-XRD）分析进行表征。在 BPS 骨架的桥上位置引入较长的烷基和烷基的非对称取代大大提高了对有机溶剂的溶解性，而电子特性则彼此相似。
{"title":"Selective Synthesis of New Hexaalkylbicyclo[1.1.1]pentasilanes with Improved Solubility","authors":"Yukihiro Morino, S. Ishida, T. Iwamoto","doi":"10.1002/zaac.202400056","DOIUrl":"https://doi.org/10.1002/zaac.202400056","url":null,"abstract":"Molecular structures and properties of molecular silicon clusters and oligo/polysilanes depend on the substituents on the silicon skeletons. Herein, we report the synthesis of new bicyclo[1.1.1]pentasilanes (BPS) having various alkyl substituents (ethyl, iBu, or 2‐ethylbutyl) at the bridge silicon atoms. All new BPS are characterized by NMR spectroscopy, MS spectrometry, and single crystal X‐ray diffraction (sc‐XRD) analysis. Introduction of longer alkyl groups and unsymmetrical substitution of alkyl groups at the bridge positions on the BPS skeleton substantially improve the solubility toward organic solvents, while the electronic properties are similar to each other.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141112525","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
David van Gerven, Alisha Mertens, Katrin Eppers, Jasper Nickelsen, Mathias Wickleder
Methanesulfonic acid, CH3SO3H, has been crystallized using an in situ technique on a single crystal diffractometer. The crystal structure is monoclinic (P21/c, Z = 4, a = 842.07(4) pm, b = 582.20(3) pm, c = 820.38(4) pm, β = 106.459(2)°) and stamped by the presence of strong hydrogen bonds. Single crystals of the anhydride of methanesulfonic acid, (CH3)2S2O5, formed as a side product in the reaction of bis‐trimethylsilyl‐sulfate, [(CH3)3SiO]2SO2 with SO3 in a sealed glass ampoule. The monoclinic crystal structure (P21/n, Z = 12, a = 1794.5(2) pm, b = 831.75(7) pm, 1383.4(1) pm, β = 110.630(4)°) shows three crystallographically different (CH3)2S2O5 molecules in the unit cell. According to the orientation of the CH3 groups with respect to each other the (CH3)2S2O5 molecule appears as the so‐called trans‐conformer. The structure of both molecules is corroborated by quantum mechanical DFT calculations.
{"title":"In situ crystallization of methanesulfonic acid, CH3SO3H, and serendipitous single crystal formation of its anhydride, (CH3)2S2O5","authors":"David van Gerven, Alisha Mertens, Katrin Eppers, Jasper Nickelsen, Mathias Wickleder","doi":"10.1002/zaac.202400019","DOIUrl":"https://doi.org/10.1002/zaac.202400019","url":null,"abstract":"Methanesulfonic acid, CH3SO3H, has been crystallized using an in situ technique on a single crystal diffractometer. The crystal structure is monoclinic (P21/c, Z = 4, a = 842.07(4) pm, b = 582.20(3) pm, c = 820.38(4) pm, β = 106.459(2)°) and stamped by the presence of strong hydrogen bonds. Single crystals of the anhydride of methanesulfonic acid, (CH3)2S2O5, formed as a side product in the reaction of bis‐trimethylsilyl‐sulfate, [(CH3)3SiO]2SO2 with SO3 in a sealed glass ampoule. The monoclinic crystal structure (P21/n, Z = 12, a = 1794.5(2) pm, b = 831.75(7) pm, 1383.4(1) pm, β = 110.630(4)°) shows three crystallographically different (CH3)2S2O5 molecules in the unit cell. According to the orientation of the CH3 groups with respect to each other the (CH3)2S2O5 molecule appears as the so‐called trans‐conformer. The structure of both molecules is corroborated by quantum mechanical DFT calculations.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"141113436","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Hydrogel flexible sensors are widely used in wearable devices, health care, intelligent robots and other fields due to their excellent flexibility, biocompatibility and high sensitivity. With the development of single sensor to multi‐channel and multi‐mode sensor network, the sensor data also presents the characteristics of multi‐dimension, complex and massive. Traditional data analysis methods can no longer meet the data analysis requirements of hydrogel flexible sensor networks. The introduction of machine learning (ML) technology optimizes the process of data analysis. With the continuous development of multi‐layer neural network technology and the improvement of computer performance, deep learning (DL) algorithm is increasingly used to achieve higher efficiency and accuracy, provides a powerful tool for data analysis of hydrogel flexible sensor, and accelerates the intelligent process of hydrogel flexible sensor equipment. This paper introduces the classification of hydrogel flexible sensors and the working mechanism and common algorithms of ML, and summarizes the application of ML technology to assist hydrogel flexible sensors in data analysis in the fields of health care and information recognition. This review will provide inspiration and reference for integrating ML technology into the field of hydrogel flexible sensors.
水凝胶柔性传感器因其优异的柔韧性、生物相容性和高灵敏度，被广泛应用于可穿戴设备、医疗保健、智能机器人等领域。随着单传感器向多通道、多模式传感器网络的发展，传感器数据也呈现出多维度、复杂、海量的特点。传统的数据分析方法已无法满足水凝胶柔性传感器网络的数据分析要求。机器学习（ML）技术的引入优化了数据分析过程。随着多层神经网络技术的不断发展和计算机性能的提升，深度学习（DL）算法得到越来越多的应用，实现了更高的效率和精度，为水凝胶柔性传感器的数据分析提供了有力工具，加速了水凝胶柔性传感器装备的智能化进程。本文介绍了水凝胶柔性传感器的分类以及 ML 的工作机理和常用算法，总结了 ML 技术在医疗保健和信息识别领域辅助水凝胶柔性传感器进行数据分析的应用。本综述将为把 ML 技术融入水凝胶柔性传感器领域提供启发和参考。
{"title":"Recent Advances in Machine Learning Assisted Hydrogel Flexible Sensing","authors":"Song Zhou, Dengke Song, Lisha Pu, Wenlong Xu","doi":"10.1002/zaac.202400051","DOIUrl":"https://doi.org/10.1002/zaac.202400051","url":null,"abstract":"Hydrogel flexible sensors are widely used in wearable devices, health care, intelligent robots and other fields due to their excellent flexibility, biocompatibility and high sensitivity. With the development of single sensor to multi‐channel and multi‐mode sensor network, the sensor data also presents the characteristics of multi‐dimension, complex and massive. Traditional data analysis methods can no longer meet the data analysis requirements of hydrogel flexible sensor networks. The introduction of machine learning (ML) technology optimizes the process of data analysis. With the continuous development of multi‐layer neural network technology and the improvement of computer performance, deep learning (DL) algorithm is increasingly used to achieve higher efficiency and accuracy, provides a powerful tool for data analysis of hydrogel flexible sensor, and accelerates the intelligent process of hydrogel flexible sensor equipment. This paper introduces the classification of hydrogel flexible sensors and the working mechanism and common algorithms of ML, and summarizes the application of ML technology to assist hydrogel flexible sensors in data analysis in the fields of health care and information recognition. This review will provide inspiration and reference for integrating ML technology into the field of hydrogel flexible sensors.","PeriodicalId":23934,"journal":{"name":"Zeitschrift für anorganische und allgemeine Chemie","volume":null,"pages":null},"PeriodicalIF":0.0,"publicationDate":"2024-05-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"140927970","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
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