Pub Date : 2022-12-01DOI: 10.1016/j.mlblux.2022.100167
Luwei Zhang, Qingrui He, Jinyou Hu
Additive manufactured flexible electrodes show prospect applications in flexible electronics. However, morphological defects may affect a flexible electronic device's sensitivity, response value, reliability, etc. Therefore, accurate and efficient defect detection is still challenging, especially for mass-manufactured flexible electrodes. This paper proposed and tested a rapid morphological defects detection approach with infrared thermography technology. This approach shows advantages of high detect resolution (minimum test defect: 183.38um), good linearity (R2 = 0.9887), efficiency, and nondestructive and large-scale applications, thereby achieving quality control and process evaluation in the mass additive manufacturing of flexible electrodes. Furthermore, resulting in improves the reliability and consistency of flexible electronic devices.
{"title":"Infrared thermography enabled morphology detection approach for additive manufactured flexible electrodes","authors":"Luwei Zhang, Qingrui He, Jinyou Hu","doi":"10.1016/j.mlblux.2022.100167","DOIUrl":"10.1016/j.mlblux.2022.100167","url":null,"abstract":"<div><p>Additive manufactured flexible electrodes show prospect applications in flexible electronics. However, morphological defects may affect a flexible electronic device's sensitivity, response value, reliability, etc. Therefore, accurate and efficient defect detection is still challenging, especially for mass-manufactured flexible electrodes. This paper proposed and tested a rapid morphological defects detection approach with infrared thermography technology. This approach shows advantages of high detect resolution (minimum test defect: 183.38um), good linearity (R<sup>2</sup> = 0.9887), efficiency, and nondestructive and large-scale applications, thereby achieving quality control and process evaluation in the mass additive manufacturing of flexible electrodes. Furthermore, resulting in improves the reliability and consistency of flexible electronic devices.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"16 ","pages":"Article 100167"},"PeriodicalIF":1.7,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000473/pdfft?md5=75e033764198caafbb8cf2efc26f06ae&pid=1-s2.0-S2590150822000473-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"48459042","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-01DOI: 10.1016/j.mlblux.2022.100168
T. Wang , F. Yong , X.H. Liu , K.X. Wang , Y.X. Du , F. Zhao
In general, metastable β-Ti-alloys exhibit low ductility at room temperature, which restricts its workability and critical applications. Here, we report a hierarchical microstructure tailoring strategy to achieve an excellent strength-ductility combination in Ti-4Al-5Mo-5V-5Cr-1Nb (Ti-45551) alloy. It was revealed that high density deformation twinning can be successfully introduced in primary α particles of Ti-45551 alloy through warm dynamic plastic deformation (DPD). After warm DPD process, the hierarchical microstructure was constructed in Ti-45551 alloy, including equiaxed primary α particles with high density deformation twins, β-phase matrix and finely dispersed nanoscale secondary α lamellas. Uniaxial tensile experiments have revealed that Ti-45551 alloy exhibited enhanced strength-ductility synergy with hierarchical microstructure at room temperature. This excellent combination of strength and ductility is derived from high twin density in in primary α particles and unique hierarchical microstructure. Also, this study demonstrates a feasible and low-cost route to design high performance Ti alloy.
{"title":"Enhanced strength-ductility synergy in Ti-4Al-5Mo-5V-5Cr-1Nb with hierarchical microstructure","authors":"T. Wang , F. Yong , X.H. Liu , K.X. Wang , Y.X. Du , F. Zhao","doi":"10.1016/j.mlblux.2022.100168","DOIUrl":"10.1016/j.mlblux.2022.100168","url":null,"abstract":"<div><p>In general, metastable β-Ti-alloys exhibit low ductility at room temperature, which restricts its workability and critical applications. Here, we report a hierarchical microstructure tailoring strategy to achieve an excellent strength-ductility combination in Ti-4Al-5Mo-5V-5Cr-1Nb (Ti-45551) alloy. It was revealed that high density deformation twinning can be successfully introduced in primary α particles of Ti-45551 alloy through warm dynamic plastic deformation (DPD). After warm DPD process, the hierarchical microstructure was constructed in Ti-45551 alloy, including equiaxed primary α particles with high density deformation twins, β-phase matrix and finely dispersed nanoscale secondary α lamellas. Uniaxial tensile experiments have revealed that Ti-45551 alloy exhibited enhanced strength-ductility synergy with hierarchical microstructure at room temperature. This excellent combination of strength and ductility is derived from high twin density in in primary α particles and unique hierarchical microstructure. Also, this study demonstrates a feasible and low-cost route to design high performance Ti alloy.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"16 ","pages":"Article 100168"},"PeriodicalIF":1.7,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000485/pdfft?md5=46626d99f127f7b954a98ab37442a7d1&pid=1-s2.0-S2590150822000485-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42662552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-12-01DOI: 10.1016/j.mlblux.2022.100169
Mohammad Reza Shojaei , Gholam Reza Khayati , Mohammad Javad Korasani
Despite extensive studies on electrorefining to remove impurities from copper production units, bleeding electrolytes is the most popular method for controlling impurities due to low operating costs. A controlled cooled-reheat cycle was used to remove impurities in industrial electrolytes of Khatoon Abad copper company. Phase identification and physical study were done by the XRD, SEM, TEM, and FTIR techniques. The results confirmed the possibility of the removal of 23 wt% Ni, 26 wt% Sb, 2.4 wt% As and convention of 6 wt% of As5+ to As3+ at cooled-reheat cycle.
{"title":"A sustainable approach to replace bleed stream in electrical refining of copper","authors":"Mohammad Reza Shojaei , Gholam Reza Khayati , Mohammad Javad Korasani","doi":"10.1016/j.mlblux.2022.100169","DOIUrl":"10.1016/j.mlblux.2022.100169","url":null,"abstract":"<div><p>Despite extensive studies on electrorefining to remove impurities from copper production units, bleeding electrolytes is the most popular method for controlling impurities due to low operating costs. A controlled cooled-reheat cycle was used to remove impurities in industrial electrolytes of Khatoon Abad copper company. Phase identification and physical study were done by the XRD, SEM, TEM, and FTIR techniques. The results confirmed the possibility of the removal of 23 wt% Ni, 26 wt% Sb, 2.4 wt% As and convention of 6 wt% of As<sup>5+</sup> to As<sup>3+</sup> at cooled-reheat cycle.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"16 ","pages":"Article 100169"},"PeriodicalIF":1.7,"publicationDate":"2022-12-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000497/pdfft?md5=930da5f7e71d935e94766795e2ec6ed8&pid=1-s2.0-S2590150822000497-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"43008441","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1016/j.mlblux.2022.100161
Marius Grad , Naresh Nadammal , Darius Tytko , Ulf Noster
Hot pressing of pure Ti and cast iron under vacuum formed a ∼15 µm wide TiC-layer through the thermo-reactive diffusion process. Nanoindentation testing of the TiC-layer revealed average hardness and elastic modulus values of ∼35 GPa and ∼400 GPa, respectively. High-resolution indentation mapping indicated hardness change across the boundary with peak values observed within the TiC-layer. Solid state high temperature diffusion holds significant potential for developing uniform hard coatings on pure Ti/Ti-alloys.
{"title":"On the nanoindentation behavior of a TiC layer formed through thermo-reactive diffusion during hot pressing of Ti and cast iron","authors":"Marius Grad , Naresh Nadammal , Darius Tytko , Ulf Noster","doi":"10.1016/j.mlblux.2022.100161","DOIUrl":"10.1016/j.mlblux.2022.100161","url":null,"abstract":"<div><p>Hot pressing of pure Ti and cast iron under vacuum formed a ∼15 µm wide TiC-layer through the thermo-reactive diffusion process. Nanoindentation testing of the TiC-layer revealed average hardness and elastic modulus values of ∼35 GPa and ∼400 GPa, respectively. High-resolution indentation mapping indicated hardness change across the boundary with peak values observed within the TiC-layer. Solid state high temperature diffusion holds significant potential for developing uniform hard coatings on pure Ti/Ti-alloys.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"15 ","pages":"Article 100161"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000412/pdfft?md5=02c95108987e5b04bb6d90f277355a3d&pid=1-s2.0-S2590150822000412-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"46379892","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1016/j.mlblux.2022.100160
Melquisedec Vicente Mendoza , Edgar Serrano Peréz , Fernando Juárez López
Alumina deposit was produced by metalorganic chemical vapour deposition process on a NiCoCrAlY superalloy substrate. Low frequency injection in the range 5–10 Hz was used to feed the Aluminium Tri-isopropoxide precursor into a deposit chamber holding at 400 °C of temperature. Both scanning electron microscopy and X-ray diffraction analysis were accomplished to characterize the deposited alumina. Topographic images show an alumina deposit roughness of Ra 35 nm measured by atomic force microscopy. An X-photon spectroscopy analysis of the alumina deposit was performed to identify both Al species and chemical analysis. Thermo-gravimetric analysis was conducted to assess the effect of deposited alumina on the superalloy.
{"title":"Alumina deposited by metal-organic chemical vapour deposition process on NiCoCrAlYTa superalloy","authors":"Melquisedec Vicente Mendoza , Edgar Serrano Peréz , Fernando Juárez López","doi":"10.1016/j.mlblux.2022.100160","DOIUrl":"10.1016/j.mlblux.2022.100160","url":null,"abstract":"<div><p>Alumina deposit was produced by metalorganic chemical vapour deposition process on a NiCoCrAlY superalloy substrate. Low frequency injection in the range 5–10 Hz was used to feed the Aluminium Tri-isopropoxide precursor into a deposit chamber holding at 400 °C of temperature. Both scanning electron microscopy and X-ray diffraction analysis were accomplished to characterize the deposited alumina. Topographic images show an alumina deposit roughness of Ra 35 nm measured by atomic force microscopy. An X-photon spectroscopy analysis of the alumina deposit was performed to identify both Al species and chemical analysis. Thermo-gravimetric analysis was conducted to assess the effect of deposited alumina on the superalloy.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"15 ","pages":"Article 100160"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000400/pdfft?md5=c398d038917eeadf39dea9ed4ab350c7&pid=1-s2.0-S2590150822000400-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49588475","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1016/j.mlblux.2022.100155
Gabriel Plascencia
A model to depict that it is possible to separate solid cobalt and copper from liquid Mg-Co-Cu mixtures is presented. The model aims to demonstrate how the application of solution thermodynamics concepts can help in depicting real processes.
{"title":"A model to predict the recovery of cobalt and copper from liquid magnesium distillation","authors":"Gabriel Plascencia","doi":"10.1016/j.mlblux.2022.100155","DOIUrl":"10.1016/j.mlblux.2022.100155","url":null,"abstract":"<div><p>A model to depict that it is possible to separate solid cobalt and copper from liquid Mg-Co-Cu mixtures is presented. The model aims to demonstrate how the application of solution thermodynamics concepts can help in depicting real processes.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"15 ","pages":"Article 100155"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000357/pdfft?md5=32a803f0644fded1d33465368cb963a2&pid=1-s2.0-S2590150822000357-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"47450738","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1016/j.mlblux.2022.100150
Rozita M Moattari, Mostafa Mahinroosta, Seyed Nezameddin Ashrafizadeh
In the present research work, an aluminomagnesium hydrogel was synthesized via co-precipitation, organic solvent-based aging, and microwave irradiation drying. The synthesized hydrogel was used to remove methylene blue dye from aqueous solutions. The adsorption experiments at room temperature indicated a removal efficiency of 99.7% under an adsorbent dosage of 4 g/L and a duration of 30 min. The adsorbent regeneration tests also confirmed the reusability of the adsorbent for the removal of dye, so that after five regeneration cycles, the hydrogel exhibited a removal efficiency of more than 90% under the same conditions. Overall, the results confirmed that the synthesized aluminomagnesium hydrogel could be used as a promising dye scavenger for methylene blue.
{"title":"Aluminomagnesium hydrogel as an efficient and reusable dye scavenger","authors":"Rozita M Moattari, Mostafa Mahinroosta, Seyed Nezameddin Ashrafizadeh","doi":"10.1016/j.mlblux.2022.100150","DOIUrl":"10.1016/j.mlblux.2022.100150","url":null,"abstract":"<div><p>In the present research work, an aluminomagnesium hydrogel was synthesized via co-precipitation, organic solvent-based aging, and microwave irradiation drying. The synthesized hydrogel was used to remove methylene blue dye from aqueous solutions. The adsorption experiments at room temperature indicated a removal efficiency of 99.7% under an adsorbent dosage of 4 g/L and a duration of 30 min. The adsorbent regeneration tests also confirmed the reusability of the adsorbent for the removal of dye, so that after five regeneration cycles, the hydrogel exhibited a removal efficiency of more than 90% under the same conditions. Overall, the results confirmed that the synthesized aluminomagnesium hydrogel could be used as a promising dye scavenger for methylene blue.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"15 ","pages":"Article 100150"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000308/pdfft?md5=d1a411c6fa509d096f4158f9bd2a05f7&pid=1-s2.0-S2590150822000308-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"45848950","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1016/j.mlblux.2022.100151
Toshiki Miyazaki, Youta Higa
Octacalcium phosphate (OCP) has attracted attention as a bone-repairing material with excellent bone regeneration ability, and F− incorporation is expected to further promote bone formation. However, because OCP is easily converted to fluorapatite in an aqueous fluoride solution, it is difficult to incorporate a large amount of F− while maintaining the crystalline structure of OCP. Therefore, in this study, we attempted to introduce F− into OCP using an ionic liquid with high F− concentration in a non-aqueous environment. OCP was incorporated with F− in the form of ion pairs after treatment with an acetone solution of 1-ethyl-3-methylimidazolium tetrafluoroborate. The F− content was approximately 9%, which was approximately 28 times greater than achieved in previous studies. The amount of OCP with F− dissolved in acetate buffer was less than that of untreated OCP.
{"title":"Enriched fluoridation of octacalcium phosphate by ionic liquid treatment","authors":"Toshiki Miyazaki, Youta Higa","doi":"10.1016/j.mlblux.2022.100151","DOIUrl":"https://doi.org/10.1016/j.mlblux.2022.100151","url":null,"abstract":"<div><p>Octacalcium phosphate (OCP) has attracted attention as a bone-repairing material with excellent bone regeneration ability, and F<sup>−</sup> incorporation is expected to further promote bone formation. However, because OCP is easily converted to fluorapatite in an aqueous fluoride solution, it is difficult to incorporate a large amount of F<sup>−</sup> while maintaining the crystalline structure of OCP. Therefore, in this study, we attempted to introduce F<sup>−</sup> into OCP using an ionic liquid with high F<sup>−</sup> concentration in a non-aqueous environment. OCP was incorporated with F<sup>−</sup> in the form of ion pairs after treatment with an acetone solution of 1-ethyl-3-methylimidazolium tetrafluoroborate. The F<sup>−</sup> content was approximately 9%, which was approximately 28 times greater than achieved in previous studies. The amount of OCP with F<sup>−</sup> dissolved in acetate buffer was less than that of untreated OCP.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"15 ","pages":"Article 100151"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S259015082200031X/pdfft?md5=bb6e392091854b0642e98c4d8d8f895b&pid=1-s2.0-S259015082200031X-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"72085447","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1016/j.mlblux.2022.100152
Yogita Maithani, B.R. Mehta, J.P. Singh
An efficient dry electrode is required to effectively record the biopotential signals. This study proposes a dry electrode for ECG monitoring based on highly flexible, conductive, and antibacterial silver nanorods (AgNRs) grown via a novel glancing angle deposition and RGO-PDMS composite matrix. The fabricated electrode possesses good electrical conductivity and skin contact impedance between 70.1 ± 0.7 kΩ to 5.6 ± 1.7 kΩ for frequencies ranging from 40 Hz to 1 kHz, comparable to conventional Ag/AgCl wet electrodes. These electrodes give excellent quality ECG signals and do not cause skin irritation even after several hours of usage. They offer high skin compatibility and good signal quality, which are prominent features for cardiorespiratory monitoring.
{"title":"Implementation of hybrid Ag nanorods embedded RGO-PDMS conductive material for flexible and dry electrocardiography sensor","authors":"Yogita Maithani, B.R. Mehta, J.P. Singh","doi":"10.1016/j.mlblux.2022.100152","DOIUrl":"10.1016/j.mlblux.2022.100152","url":null,"abstract":"<div><p>An efficient dry electrode is required to effectively record the biopotential signals. This study proposes a dry electrode for ECG monitoring based on highly flexible, conductive, and antibacterial silver nanorods (AgNRs) grown via a novel glancing angle deposition and RGO-PDMS composite matrix. The fabricated electrode possesses good electrical conductivity and skin contact impedance between 70.1 ± 0.7 kΩ to 5.6 ± 1.7 kΩ for frequencies ranging from 40 Hz to 1 kHz, comparable to conventional Ag/AgCl wet electrodes. These electrodes give excellent quality ECG signals and do not cause skin irritation even after several hours of usage. They offer high skin compatibility and good signal quality, which are prominent features for cardiorespiratory monitoring.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"15 ","pages":"Article 100152"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000321/pdfft?md5=65c17c2251b978db8074a276eefffbec&pid=1-s2.0-S2590150822000321-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"42923222","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}
Pub Date : 2022-09-01DOI: 10.1016/j.mlblux.2022.100163
N. Kanagathara , K. Ayisha Begam , M.K. Marchewka
An organic crystalline salt − 2,4-Diamino-6-methyl-1,3,5-triazin- 1-ium hydrogen oxalate (DMTO) has hydrogen interactions viz. NH⋯O, CH⋯O, NH⋯N and OH⋯O gives interesting vibrational effect. X-ray diffraction study reveals that DMTO is crystallized in triclinic centrosymmetric space group P-1 as expected. Structural as well as the vibrational spectra have been discussed on the basis of density functional theory (DFT) using B3LYP hybrid functional with the basis set 6–311++G(d,p). Acidic proton of the oxalic acid (OA) is transferred to 2,4-diamino-6-methyl-1,3,5-triazine (DAMT) and giving rise to singly protonated 2,4-diamino-6-methyl-1,3,5-triazinium ion.
{"title":"Structural and vibrational analysis of 2, 4-diamino-6-methyl-1, 3, 5-triazin-1-ium-hydrogen oxalate","authors":"N. Kanagathara , K. Ayisha Begam , M.K. Marchewka","doi":"10.1016/j.mlblux.2022.100163","DOIUrl":"10.1016/j.mlblux.2022.100163","url":null,"abstract":"<div><p>An organic crystalline salt − 2,4-Diamino-6-methyl-1,3,5-triazin- 1-ium hydrogen oxalate (DMTO) has hydrogen interactions viz. N<img>H⋯O, C<img>H⋯O, N<img>H⋯N and O<img>H⋯O gives interesting vibrational effect. X-ray diffraction study reveals that DMTO is crystallized in triclinic centrosymmetric space group <em>P</em>-1 as expected. Structural as well as the vibrational spectra have been discussed on the basis of density functional theory (DFT) using B3LYP hybrid functional with the basis set 6–311++G(d,p).<!--> <!-->Acidic proton of the oxalic acid (OA) is transferred to 2,4-diamino-6-methyl-1,3,5-triazine (DAMT) and giving rise to singly protonated 2,4-diamino-6-methyl-1,3,5-triazinium ion.</p></div>","PeriodicalId":18245,"journal":{"name":"Materials Letters: X","volume":"15 ","pages":"Article 100163"},"PeriodicalIF":1.7,"publicationDate":"2022-09-01","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://www.sciencedirect.com/science/article/pii/S2590150822000436/pdfft?md5=8db5f529fdc2298d17693d487f5b74e8&pid=1-s2.0-S2590150822000436-main.pdf","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"49502675","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":0,"RegionCategory":"","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}