Croatica Chemica Acta最新文献

Spectrophotometric Determination of N-acetyl-L-Cysteine in Pharmaceutical Formulations by Flow Injection and Sequential Injection Analysis: Comparison of the Methods 流动注射与序贯注射分光光度法测定制剂中n -乙酰- l-半胱氨酸的比较

4区化学

Croatica Chemica Acta Pub Date : 2023-01-01 DOI: 10.5562/cca4016

Maja Biocic, Deni Karabatić, Dea Tomić, Lea Kukoc-Modun

引用次数: 0

Comparison of Radon Adsorption on Hematite and Charcoal Activated Powder in Air 空气中赤铁矿粉与活性炭粉吸附氡的比较

4区化学

Croatica Chemica Acta Pub Date : 2023-01-01 DOI: 10.5562/cca4013

Vanja Radolić, Goran Šmit, Igor Miklavčić, Marina Poje Sovilj

引用次数: 0

Ecofriendly Synthesis of DHPMs using Copper-based Nano catalysts and Evaluation of Antibacterial Activity 基于铜基纳米催化剂的环境友好型dhpm合成及其抗菌活性评价

4区化学

Croatica Chemica Acta Pub Date : 2023-01-01 DOI: 10.5562/cca4001

Khushboo Sharma, Narsingh Khatik, Abhinav Raj Khandelwal, Ravina Meena, Seema Bhadauria, Malvika Singh, Harshita Sachdeva

引用次数: 0

Synthesis, Experimental and Theoretical Characterization of (μ4-oxo)hexakis(μ2-chloro)-tetrakis[1-(allyl)-1H-imidazole]tetracopper(II) (μ4-氧)六基斯(μ2-氯)四基斯[1-(烯丙基)- 1h -咪唑]四铜的合成、实验和理论表征

4区化学

Croatica Chemica Acta Pub Date : 2023-01-01 DOI: 10.5562/cca3933

Namık Özdemir, Rukiye Fırıncı, Muhammet Emin Günay

{"title":"Synthesis, Experimental and Theoretical Characterization of (μ4-oxo)hexakis(μ2-chloro)-tetrakis[1-(allyl)-1H-imidazole]tetracopper(II)","authors":"Namık Özdemir, Rukiye Fırıncı, Muhammet Emin Günay","doi":"10.5562/cca3933","DOIUrl":"https://doi.org/10.5562/cca3933","url":null,"abstract":": A new [Cu 4 OCl 6 L 4 ] cluster [L = 1 -(allyl)-1 H -imidazole] has been isolated and its crystal structure and spectroscopic properties determined. The compound crystallizes as a yellow solid in the monoclinic system, space group P 2 1 , with cell constants a = 10.6937(7) Å, b = 13.1004(7) Å, c = 13.2452(9) Å, β = 93.537(6)°, and two formula units per cell. The title tetranuclear complex has a central µ 4 - oxide ion surrounded tetrahedrally by four Cu II atoms. Each Cu atom is connected to three others via bridging Cl atoms. The fifth coordination position, located on the central Cu─O axis on the outside of the cluster, is occupied by an N atom of the monodentate imidazole ligand. The resulting coordi nation geometry of the metal ion is a slightly distorted trigonal bipyramid with the O and N atoms in the axial positions. Th e molecular structure and spectroscopic data were obtained using density functional theory (DFT/HSEH1PBE) method with the cc - pVDZ basis set for C, H, N, O and Cl atoms, and the LANL2DZ basis set for the Cu atoms, and compared with the experimental data. Consequently, the exp erimental data well coherences with the theoretical ones.","PeriodicalId":10822,"journal":{"name":"Croatica Chemica Acta","volume":"93 1","pages":"0"},"PeriodicalIF":0.0,"publicationDate":"2023-01-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"135989432","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

Influence of Bitartrate Ion Concentration in the Copper Electrodeposition Onto a Polycrystalline Gold Electrode 铜电沉积中酒石酸盐离子浓度对多晶金电极的影响

IF 0.3 4区化学

Croatica Chemica Acta Pub Date : 2021-06-28 DOI: 10.5562/cca3757

M. Hernández, G. Álvarez-Romero, M. Rivera, Simplicio González-Montiel, C. H. Rios-Reyes, L. Mendoza-Huizar

引用次数: 0

Catacondensed Chemical Hexagonal Complexes: A Natural Generalisation of Benzenoids 浓缩化学六方配合物:苯类化合物的自然概括

IF 0.3 4区化学

Croatica Chemica Acta Pub Date : 2021-04-02 DOI: 10.5562/cca3765

Cate S. Anstöter, N. Bašić, P. Fowler, T. Pisanski

{"title":"Catacondensed Chemical Hexagonal Complexes: A Natural Generalisation of Benzenoids","authors":"Cate S. Anstöter, N. Bašić, P. Fowler, T. Pisanski","doi":"10.5562/cca3765","DOIUrl":"https://doi.org/10.5562/cca3765","url":null,"abstract":"Catacondensed benzenoids (those benzenoids having no carbon atom belonging to three hexagonal rings) form the simplest class of polycyclic aromatic hydrocarbons (PAH). They have a long history of study and are of wide chemical importance. In this paper, mathematical possibilities for natural extension of the notion of a catacondensed benzenoid are discussed, leading under plausible chemically and physically motivated restrictions to the notion of a catacondensed chemical hexagonal complex (CCHC). A general polygonal complex is a topological structure composed of polygons that are glued together along certain edges. A polygonal complex is flat if none of its edges belong to more than two polygons. A connected flat polygonal complex determines an orientable or nonorientable surface, possibly with boundary. A CCHC is then a connected flat polygonal complex all of whose polygons are hexagons and each of whose vertices belongs to at most two hexagonal faces. We prove that all CCHC are Kekulean and give formulas for counting the perfect matchings in a series of examples based on expansion of cubic graphs in which the edges are replaced by linear polyacenes of equal length. As a preliminary assessment of the likely stability of molecules with CCHC structure, all-electron quantum chemical calculations are applied to molecular structures based on several CCHC, using either linear or kinked unbranched catafused polyacenes as the expansion motif. The systems examined all have closed shells according to Huckel theory and all correspond to minima on the potential surface, thus passing the most basic test for plausibility as a chemical species.","PeriodicalId":10822,"journal":{"name":"Croatica Chemica Acta","volume":" ","pages":""},"PeriodicalIF":0.3,"publicationDate":"2021-04-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47506122","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

Photo-induced Dissociation of the N1–H Bond in the Imino Tautomers of Isocytosine in Water Medium 水介质中异胞嘧啶亚胺互变异构体中N1–H键的光诱导解离

IF 0.3 4区化学

Croatica Chemica Acta Pub Date : 2020-10-11 DOI: 10.5562/cca3659

B. H. Dimitrov, V. Delchev

引用次数: 1

Rotational Barrier and Quantification of Electron-Donating Substituent Effects: a Computational Study of para-Substituted Benzaldehydes 给电子取代基效应的旋转势垒和量化:对取代苯甲醛的计算研究

IF 0.3 4区化学

Croatica Chemica Acta Pub Date : 2020-10-11 DOI: 10.5562/cca3672

Ali Hussain Yateem

{"title":"Rotational Barrier and Quantification of Electron-Donating Substituent Effects: a Computational Study of para-Substituted Benzaldehydes","authors":"Ali Hussain Yateem","doi":"10.5562/cca3672","DOIUrl":"https://doi.org/10.5562/cca3672","url":null,"abstract":"The rotational barrier around the phenyl-formyl bond between the minimum and transition states of para-substituted benzaldehydes was computationally studied for 34 electron-donating substituents. The rotational barrier exhibited very good correlation with shortening of the phenyl-formyl bond, lengthening of carbonyl bond, increase of electron density at the formyl group, increase of stabilization energy, lowering of chemical shift in the 13C NMR of the formyl carbon, and with the values of empirical Hammett σp+ constants. Therefore, rotational barrier is a useful quantum mechanical parameter for quantifying the electron-donating substituent effect and π-conjugation in parasubstituted benzaldehydes. Based upon the rotational barrier a scale has been set in this work to judge the electron donating effect of substituents. Moreover, a canonical structure has been proposed for stronger electron-donating substituents. The results of this study reveal that simultaneous presence of electron acceptor formyl group and electron-donating groups is mandatory for the extension of resonance stabilization.","PeriodicalId":10822,"journal":{"name":"Croatica Chemica Acta","volume":"93 1","pages":"85-95"},"PeriodicalIF":0.3,"publicationDate":"2020-10-11","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://sci-hub-pdf.com/10.5562/cca3672","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47152829","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: 1

Distribution of Rare Earth Elements in Citrus Leaves and Reference Materials (NIST SRM 1515 and ERM CD281) 柑橘叶片中稀土元素的分布及标准物质(NIST SRM 1515和ERM CD281)

IF 0.3 4区化学

Croatica Chemica Acta Pub Date : 2020-10-11 DOI: 10.5562/cca3663

Ž. Fiket, Martina Furdek Turk

引用次数: 1

A DFT Study on the Efficacy of Linking Agents (Sulfur and Nitrogen) to Connect Trans-azobenzene Sandwiched Between Two Gold Electrodes 连接剂（硫和氮）连接夹在两个金电极之间的反式偶氮苯的DFT研究

IF 0.3 4区化学

Croatica Chemica Acta Pub Date : 2020-10-11 DOI: 10.5562/CCA3695

C. Karthika, R. Praveena, S. Ramachandran, K. Sadasivam, G. Salgado, P. Muñoz, Lorena A. Gerli, L. Mendoza-Huizar

引用次数: 0