发布求助
文献互助 智能选刊 最新文献

Zeitschrift für Naturforschung B最新文献

筛选
英文 中文
SrMg2Ga2 with ThCr2Si2-type structure 具有thcr2si2型结构的SrMg2Ga2
Zeitschrift für Naturforschung B Pub Date : 2023-05-22 DOI: 10.1515/znb-2023-0028
M. Reimann, S. Matar, Rainer Pöttgen
{"title":"SrMg2Ga2 with ThCr2Si2-type structure","authors":"M. Reimann, S. Matar, Rainer Pöttgen","doi":"10.1515/znb-2023-0028","DOIUrl":"https://doi.org/10.1515/znb-2023-0028","url":null,"abstract":"Abstract The gallide SrMg2Ga2 was obtained by direct reaction of the elements in a sealed tantalum ampoule. Single crystals were grown by slowly cooling the sample within a muffle furnace. The SrMg2Ga2 structure was refined from single crystal X-ray diffractometer data: I4/mmm, a = 450.52(7), c = 1169.39(18) pm, wR2 = 0.0349, 164 F2 values, 11 variables. The magnesium and gallium atoms build up a three-dimensional [Mg2Ga2] network which is composed of layers of edge-sharing MgGa4 tetrahedra with 280 pm Mg–Ga. Adjacent layers are condensed by Ga–Ga bonding (253 pm). The strontium atoms fill large Ga8Mg8 cages. Electronic structure calculations within Density Functional Theory (DFT) show charge transfers from Sr and Mg to Ga with ionocovalent behavior. The electronic density of states is dominated by Ga states and reveals metallic behavior. The chemical bonding is strong with dominant Mg–Ga and Ga–Ga mixing.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"3 1","pages":"389 - 394"},"PeriodicalIF":0.0,"publicationDate":"2023-05-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"83168887","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}
引用次数: 0
Cobalt(II) and nickel(II) complexes based on 2,5-di(pyridine-4-yl)thiazolo[5,4-d]thiazole and dicarboxylate ligands: synthesis, structures and properties 基于2,5-二(吡啶-4-基)噻唑[5,4-d]噻唑和二羧酸盐配体的钴(II)和镍(II)配合物:合成、结构和性质
Zeitschrift für Naturforschung B Pub Date : 2023-05-18 DOI: 10.1515/znb-2022-0103
Jing Ai, Lei Yang, Zhongcheng Tian
{"title":"Cobalt(II) and nickel(II) complexes based on 2,5-di(pyridine-4-yl)thiazolo[5,4-d]thiazole and dicarboxylate ligands: synthesis, structures and properties","authors":"Jing Ai, Lei Yang, Zhongcheng Tian","doi":"10.1515/znb-2022-0103","DOIUrl":"https://doi.org/10.1515/znb-2022-0103","url":null,"abstract":"Abstract Two metal coordination polymers [Ni(oba)(Py2TTz)1.5(H2O)]·2H2O·DMF (1) and [Co(oba)(Py2TTz)(H2O)4]·2H2O (2) have been synthesized under solvothermal conditions [H2oba = 4,4′-oxybis(benzoic acid) and Py2TTz = 2,5-di(pyridine-4-yl)thiazolo[5,4-d]thiazole]. Crystals of compound 1 belong to the orthorhombic system, space group Ibam, with a = 38.928(8), b = 7.7113(14), c = 28.508(6) Å, V = 8558(3) Å3, Z = 8. Compound 2 crystallizes in the monoclinic crystal system, space group C2/c, with a = 33.816(3), b = 6.2697(6), c = 13.5821(13) Å, β = 96.393(3)°, V = 2861.7(5) Å3, Z = 4. The oba2− dianions link two Ni atoms through unidentate carboxylate moieties in a μ1 − η1:η0 coordination mode. Compound 1 features a three-dimensional (3D) framework structure with Py2TTz and oba2− ligands. In compound 2, the central cobalt ion is in an octahedral geometry, which is defined by four oxygen atoms from four different coordinated water molecules and two nitrogen atoms from two different Py2TTz ligands. It is noteworthy that the dicarboxylate ligands oba2− with four oxygen atoms do not directly coordinate with the cobalt ion, and only act as a counter-anion. The luminescence properties of 1 and 2 were also investigated.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"20 1","pages":"331 - 337"},"PeriodicalIF":0.0,"publicationDate":"2023-05-18","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84248433","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}
引用次数: 0
Tb2Co(B2O5)2 and Tb2Cu(B2O5)2 – two new borates with gadolinite-type structures Tb2Co(B2O5)2和Tb2Cu(B2O5)2 -两种新型钆型硼酸盐
Zeitschrift für Naturforschung B Pub Date : 2023-05-12 DOI: 10.1515/znb-2023-0025
Tobias A. Teichtmeister, Michael M. Hladik, G. Heymann, H. Huppertz
{"title":"Tb2Co(B2O5)2 and Tb2Cu(B2O5)2 – two new borates with gadolinite-type structures","authors":"Tobias A. Teichtmeister, Michael M. Hladik, G. Heymann, H. Huppertz","doi":"10.1515/znb-2023-0025","DOIUrl":"https://doi.org/10.1515/znb-2023-0025","url":null,"abstract":"Abstract Using high-pressure/high-temperature synthesis methods, it was possible to increase the number of known borates with a crystal structure derived from gadolinite. Syntheses of Tb2Co(B2O5)2 (8 GPa, 1000 °C) and Tb2Cu(B2O5)2 (11 GPa, 650 °C) were carried out in a Walker-type multianvil device. The crystal structures were determined by single-crystal X-ray diffraction methods and Rietveld refinements of the powder patterns. The new compounds were further characterized by their infrared spectra. The lanthanoid cobalt and copper borates Tb2Co(B2O5)2 and Tb2Cu(B2O5)2 crystallize in the monoclinic space group P21/c (no. 14) with the unit cell parameters a = 4.5630(1), b = 7.2991(2), c = 9.4161(2) Å, and β = 91.14(1)° for the cobalt and a = 4.5757(1), b = 7.3078(2), c = 9.3771(3) Å, β = 90.73(1)° for the copper compound.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"CE-29 1","pages":"381 - 388"},"PeriodicalIF":0.0,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84570421","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}
引用次数: 0
Design, synthesis, and in-silico study of new letrozole derivatives as prospective anticancer and antioxidant agents 新型来曲唑衍生物的设计、合成和计算机研究
Zeitschrift für Naturforschung B Pub Date : 2023-05-12 DOI: 10.1515/znb-2022-0151
R. S. Jihad, N. A. Abdul-Rida, A. M. J. Al-Shamari, N. Al-Masoudi, B. Saeed
{"title":"Design, synthesis, and in-silico study of new letrozole derivatives as prospective anticancer and antioxidant agents","authors":"R. S. Jihad, N. A. Abdul-Rida, A. M. J. Al-Shamari, N. Al-Masoudi, B. Saeed","doi":"10.1515/znb-2022-0151","DOIUrl":"https://doi.org/10.1515/znb-2022-0151","url":null,"abstract":"Abstract A new series of derivatives (compounds 8–20) of the breast antihormonal drug letrozole tagged with additional aryl groups were synthesized starting from the letrozole analog 7 via Suzuki cross-coupling reaction. Treatment of the ketone 9 with various aldehydes in base afforded the chalcone analogs 21–27. The structural assignments were done by IR, 1H, 13C and 2D NMR spectra. Compounds 13, 21–23, 25 and 26 have been selected for their anticancer activity against MCF-7 and WRL-68 cell lines. Compounds 13 and 22 were found to be the most potent anticancer agents with IC50 values of 34.75 and 58.79 (μg mL−1) (SI = 3.3 and 2.6, respectively). Molecular docking study of compounds 13 and 22 revealed hydrogen bond with the amino acids Arg115, Met374 and Met364 residues of the receptor 3EQM, respectively. Therefore, compounds 13 and 22 can be considered as promising anticancer agents due to their potent cytotoxic activity.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"3420 1","pages":"343 - 353"},"PeriodicalIF":0.0,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86630290","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}
引用次数: 0
Crystal structure of the oxidotechnetate(V) complex Na2[(TcVO)(OTf)5] · 2(TfOH) with TfOH = trifluoromethanesulfonic acid 氧化钛酸盐(V)配合物Na2[(TcVO)(OTf)5]·2(TfOH)与TfOH =三氟甲烷磺酸的晶体结构
Zeitschrift für Naturforschung B Pub Date : 2023-05-12 DOI: 10.1515/znb-2022-0143
Markus Zegke, Aida Raauf, J. Neudörfl, E. Strub
{"title":"Crystal structure of the oxidotechnetate(V) complex Na2[(TcVO)(OTf)5] · 2(TfOH) with TfOH = trifluoromethanesulfonic acid","authors":"Markus Zegke, Aida Raauf, J. Neudörfl, E. Strub","doi":"10.1515/znb-2022-0143","DOIUrl":"https://doi.org/10.1515/znb-2022-0143","url":null,"abstract":"Abstract The autoreduction of ammonium pertechnetate in solutions of trifluoromethanesulfonic acid (triflic acid, TfOH) and trifluoromethanesulfonic anhydride (triflic anhydride, TfOTf) results, in the presence of sodium ions, in the formation of the complex Na2[(TcVO)(OTf)5] · 2(TfOH). Its structure has been determined by single-crystal X-ray diffraction.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"04 1","pages":"339 - 342"},"PeriodicalIF":0.0,"publicationDate":"2023-05-12","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"86111180","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}
引用次数: 0
Constitution of the fully supported gold(I)alkynyl (dmpme)·bis[gold(I)ethynyldimethylsilyl]methane in solution 全负载金(I)炔基(dmpme)·二[金(I)乙基二甲基硅基]甲烷在溶液中的组成
Zeitschrift für Naturforschung B Pub Date : 2023-05-05 DOI: 10.1515/znb-2023-0022
Peter Heinrichs, A. Mix, N. Mitzel
{"title":"Constitution of the fully supported gold(I)alkynyl (dmpme)·bis[gold(I)ethynyldimethylsilyl]methane in solution","authors":"Peter Heinrichs, A. Mix, N. Mitzel","doi":"10.1515/znb-2023-0022","DOIUrl":"https://doi.org/10.1515/znb-2023-0022","url":null,"abstract":"Abstract The dimetallacyclic complex H2C(Me2SiC≡CAuPMe2)2CH2 has been synthesized, in which the two gold centers are bridged by the diphosphine dmpme (= bis(dimethylphosphino)methane) and a diethynyl ligand providing “full support” for the possible transannular Au–Au contact (3). This compound and its “semi-” and “unsupported” analogues (2, 1) have been characterized by NMR spectroscopy and elemental analysis. The monomeric nature of complex 3 in solution has been established using diffusion coefficients measured by DOSY-NMR spectroscopy and comparing the data with those of complexes 1 and 2 as references.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"50 1","pages":"369 - 372"},"PeriodicalIF":0.0,"publicationDate":"2023-05-05","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"85236066","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}
引用次数: 0
Frontmatter 头版头条
Zeitschrift für Naturforschung B Pub Date : 2023-05-01 DOI: 10.1515/znb-2023-frontmatter5
{"title":"Frontmatter","authors":"","doi":"10.1515/znb-2023-frontmatter5","DOIUrl":"https://doi.org/10.1515/znb-2023-frontmatter5","url":null,"abstract":"","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"34 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-05-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"136048784","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}
引用次数: 0
Mössbauer-spectroscopic characterization of the stannides Sr2Pd2Sn and Eu2Pd2Sn Mössbauer-spectroscopic Sr2Pd2Sn和Eu2Pd2Sn的表征
Zeitschrift für Naturforschung B Pub Date : 2023-04-17 DOI: 10.1515/znb-2023-0015
Joshua Wiethölter, Aylin Koldemir, M. Reimann, T. Block, Jutta Kösters, O. Janka, Rainer Pöttgen
{"title":"Mössbauer-spectroscopic characterization of the stannides Sr2Pd2Sn and Eu2Pd2Sn","authors":"Joshua Wiethölter, Aylin Koldemir, M. Reimann, T. Block, Jutta Kösters, O. Janka, Rainer Pöttgen","doi":"10.1515/znb-2023-0015","DOIUrl":"https://doi.org/10.1515/znb-2023-0015","url":null,"abstract":"Abstract The Ca2Pd2Ge-type stannides Sr2Pd2Sn and Eu2Pd2Sn were synthesized by reaction of the elements in sealed tantalum ampoules in a high-frequency furnace and characterized by powder X-ray diffraction. The structure of Sr2Pd2Sn (Fdd2, a = 1063.95(5), b = 1623.22(9), c = 594.63(14) pm, wR2 = 0.0472, 972 F2 values and 26 variables) was refined from single-crystal X-ray diffractometer data. The striking structural motif features equidistant chains formed by the palladium atoms (304.7 pm Pd–Pd), which are interlinked by the tin atoms (266.9 and 268.7 pm Pd–Sn). Together, the palladium and tin atoms form a three-dimensional [Pd2Sn]δ– polyanionic network in which the strontium atoms reside in larger cavities. The divalent character of europium in Eu2Pd2Sn was manifested by 151Eu Mössbauer spectroscopy. The isomer shift is δ = −9.48(1) mm s−1 at room temperature. The results of 119Sn Mössbauer-spectroscopic experiments have confirmed the tin site determined by the single-crystal study, the isomer shifts being δ = 1.71(1) mm s−1 for Eu2Pd2Sn and δ = 1.73(1) mm s−1 for Sr2Pd2Sn. Sr2Pd2Sn is a Pauli paramagnet with a susceptibility of 2.2(1) × 10−5 emu mol−1 at room temperature. Eu2Pd2Sn shows Curie-Weiss paramagnetism with an experimental magnetic moment of 7.85(1) µB per Eu atom, confirming divalent europium. The europium magnetic moments order antiferromagnetically at TN = 14 K.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"77 1","pages":"301 - 306"},"PeriodicalIF":0.0,"publicationDate":"2023-04-17","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"78943404","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}
引用次数: 1
Understanding formation of the InPd3 polymorphs: a DFT study 了解InPd3多晶的形成:DFT研究
Zeitschrift für Naturforschung B Pub Date : 2023-04-14 DOI: 10.1515/znb-2023-0005
Nilanjan Roy
{"title":"Understanding formation of the InPd3 polymorphs: a DFT study","authors":"Nilanjan Roy","doi":"10.1515/znb-2023-0005","DOIUrl":"https://doi.org/10.1515/znb-2023-0005","url":null,"abstract":"Abstract The intriguing experimental results regarding the synthesis and structure types adopted by binary InPd3 have been fundamentally addressed using first-principles density functional theory calculations. Longer annealing time at higher temperature leads to stronger and more optimized heteroatomic In–Pd contacts that result in the extended ordering between them and leading to the ZrAl3 structure type. This is followed by another ordered derivative of the TiAl3-type and the metastable disordered AuCu-type when the annealing time and temperature were reduced. The thermodynamic stability order of these three polymorphs of InPd3, i.e. ZrAl3-type > TiAl3-type > AuCu-type is understood from the correlation between formation enthalpies, Madelung energies, and electronic structure and chemical bonding analysis.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"8 1","pages":"355 - 361"},"PeriodicalIF":0.0,"publicationDate":"2023-04-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"74813933","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}
引用次数: 1
Eu2Ru3Si5 and Eu2Ir3Ga5 – first europium compounds with U2Mn3Si5-type structure but different europium valence Eu2Ru3Si5和Eu2Ir3Ga5是一类具有u2mn3si5型结构但铕价不同的铕化合物
Zeitschrift für Naturforschung B Pub Date : 2023-03-30 DOI: 10.1515/znb-2023-0009
S. Seidel, Thomas Harmening, Jutta Kösters, Aylin Koldemir, Wilma Pröbsting, Simon Engelbert, Rainer Pöttgen
{"title":"Eu2Ru3Si5 and Eu2Ir3Ga5 – first europium compounds with U2Mn3Si5-type structure but different europium valence","authors":"S. Seidel, Thomas Harmening, Jutta Kösters, Aylin Koldemir, Wilma Pröbsting, Simon Engelbert, Rainer Pöttgen","doi":"10.1515/znb-2023-0009","DOIUrl":"https://doi.org/10.1515/znb-2023-0009","url":null,"abstract":"Abstract The silicide Eu2Ru3Si5 was synthesized from the elements in a sealed tantalum tube in a high-frequency furnace, while the gallide Eu2Ir3Ga5 was obtained by arc-melting. Both structures were refined from single-crystal X-ray diffractometer data: P4/mnc, a = 1072.69(8), c = 569.55(5) pm, wR = 0.0453, 617 F2 values, 31 variables for Eu2Ru3Si5 and a = 1122.18(7), c = 583.17(4) pm, wR = 0.0546, 729 F2 values, 31 variables for Eu2Ir3Ga4.95(1). The gallide shows small defects on one 8h site. The transition metal atoms in Eu2Ru3Si5 and Eu2Ir3Ga5 have octahedral p element coordination. These Ru@Si6 respectively Ir@Ga6 polyhedra are condensed to three-dimensional [Ru3Si5]6− respectively [Ir3Ga5]4− polyanionic networks. The ground states of Eu(III) in Eu2Ru3Si5 and Eu(II) in Eu2Ir3Ga5 were determined by 151Eu Mössbauer spectroscopy.","PeriodicalId":23831,"journal":{"name":"Zeitschrift für Naturforschung B","volume":"30 1","pages":"293 - 300"},"PeriodicalIF":0.0,"publicationDate":"2023-03-30","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"84432622","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}
引用次数: 1
首页 上一页
0
×
引用
GB/T 7714-2015
复制
MLA
复制
APA
复制
导出至
BibTeX EndNote RefMan NoteFirst NoteExpress
×
提示
您的信息不完整，为了账户安全，请先补充。
现在去补充
×
提示
您因"违规操作"
具体请查看互助需知
我知道了
×
提示
现在去查看 取消
×
提示
确定
请完成安全验证×
相关产品
×
本文献相关产品
联系我们：info@booksci.cn Book学术提供免费学术资源搜索服务，方便国内外学者检索中英文文献。致力于提供最便捷和优质的服务体验。 Copyright © 2023 布克学术 All rights reserved.
京ICP备2023020795号-1
ghs 京公网安备 11010802042870号
Book学术文献互助
Book学术文献互助群
群 号：481959085
Book学术官方微信