Journal of Raman Spectroscopy最新文献

{"title":"Study of Mg–Fe content in tourmalines from the dravite–schorl series by Raman spectroscopy","authors":"Lorenzo Pasetti, Laura Fornasini, Luciana Mantovani, Sergio Andò, Simona Raneri, Vincenzo Palleschi, Danilo Bersani","doi":"10.1002/jrs.6645","DOIUrl":"10.1002/jrs.6645","url":null,"abstract":"<p>Thanks to their high chemical and mechanical stability, their diffusion in all types of detrital sediments and their complex structural formula (XY<sub>3</sub>Z<sub>6</sub>(T<sub>6</sub>O<sub>18</sub>)(BO<sub>3</sub>)<sub>3</sub>V<sub>3</sub>W), tourmalines have attracted strong interest in provenance studies since, from their chemical composition, it is possible to reconstruct the source rocks in ancient sediments. Dravite and schorl, belonging to the alkali subgroup 1, are the most abundant tourmaline species, and they have different Y-site compositions in the unit cell: dravite has more magnesium, while schorl has a higher iron content. For this reason, it is important to measure the Mg–Fe relative content in order to classify the analysed tourmalines in the dravite–schorl series. Raman spectroscopy is a suitable technique as it allows quick and easy measurements that provide chemical and structural information on tourmalines with a high spatial resolution, thus allowing analysis of small grains that could be found in sediments. In this work, we correlated the relative Mg–Fe content (x = Mg/(Mg + Fe)) in different tourmaline samples from the dravite–schorl series (\u0000<math>\u0000 <mi>Na</mi>\u0000 <msub>\u0000 <mfenced>\u0000 <mrow>\u0000 <msub>\u0000 <mi>Mg</mi>\u0000 <mi>x</mi>\u0000 </msub>\u0000 <msub>\u0000 <mi>Fe</mi>\u0000 <mrow>\u0000 <mn>1</mn>\u0000 <mo>−</mo>\u0000 <mi>x</mi>\u0000 </mrow>\u0000 </msub>\u0000 </mrow>\u0000 </mfenced>\u0000 <mn>3</mn>\u0000 </msub>\u0000 <msub>\u0000 <mi>Al</mi>\u0000 <mn>6</mn>\u0000 </msub>\u0000 <mfenced>\u0000 <mrow>\u0000 <msub>\u0000 <mi>Si</mi>\u0000 <mn>6</mn>\u0000 </msub>\u0000 <msub>\u0000 <mi>O</mi>\u0000 <mn>18</mn>\u0000 </msub>\u0000 </mrow>\u0000 </mfenced>\u0000 <msub>\u0000 <mfenced>\u0000 <msub>\u0000 <mi>BO</mi>\u0000 <mn>3</mn>\u0000 </msub>\u0000 </mfenced>\u0000 <mn>3</mn>\u0000 </msub>\u0000 <msub>\u0000 <mfenced>\u0000 <mi>OH</mi>\u0000 </mfenced>\u0000 <mn>3</mn>\u0000 </msub>\u0000 <mi>OH</mi></math>) with variations in Raman spectrum parameters in order to find a model for quick tourmaline identification useful for provenance studies. The chemical compositions of the analysed tourmalines are obtained by scanning electron microscop","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 2","pages":"276-286"},"PeriodicalIF":2.5,"publicationDate":"2023-12-26","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6645","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139053762","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Layered manganese oxides structures: Micro-Raman and selected mobile Raman spectroscopic studies","authors":"Eva Vermeersch,&nbsp;Filip Košek,&nbsp;Johan De Grave,&nbsp;Jan Jehlička,&nbsp;Anastasia Rousaki","doi":"10.1002/jrs.6646","DOIUrl":"10.1002/jrs.6646","url":null,"abstract":"<p>The main structural building blocks that form manganese oxides are MnO₆ octahedra; these share corners and edges to construct specific structures, which can either be tunneled or layered. In the layered structures, that is, phyllomanganates, the MnO₆ octahedra form sheets, which, in turn, alternate with sheets of metal oxides and H₂O. These metal ions can vary (Zn, Co, Ni, Al, Li, …) and give rise to an entire range of different metal oxides. The characterization of these layered materials is important as they have various economical/industrial applications. Birnessite-type materials, a specific type of layered manganese oxides, are widely studied for their use as cathode materials in alkali-ion batteries. Phyllomanganates are also commonly found as constituents in sediments and soils or as coatings on rock surfaces. Their natural occurrence as black colored components have ensured that these minerals were also applied as pigments in archaeological and historical contexts. They are, for example, often found in rock art paintings and on pottery. As the oxides are used in unique archaeological objects, Raman spectroscopy is an evident choice for characterization due to its non-destructive nature of analysis. In the current study, five mineral samples of (layered) manganese oxides are analyzed with different Raman instrumentations, including mobile systems and a benchtop micro-Raman setup. The characterization of each selected manganese oxide and their comparison with literature data is discussed for the micro-Raman instrumentation. In addition, the ability of identifying and characterizing layered manganese oxides and the possible challenges when using mobile instrumentation are discussed as well.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 2","pages":"246-262"},"PeriodicalIF":2.5,"publicationDate":"2023-12-25","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139053552","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Multi-analytical characterization of archaeological fragments of pietra ollare from the Medieval site ‘Piana di S. Martino’ (Piacenza, Italy): A mobile and laboratory approach","authors":"Laura Fornasini,&nbsp;Luciana Mantovani,&nbsp;Michela Bertolini,&nbsp;Roberta Conversi,&nbsp;Danilo Bersani","doi":"10.1002/jrs.6638","DOIUrl":"10.1002/jrs.6638","url":null,"abstract":"<p>The archaeological excavations in the site of ‘Piana di San Martino’ (Pianello Val Tidone, Piacenza, Italy) discovered several fragments of <i>pietra ollare</i> (soapstone) artefacts, dating back to the Medieval period. A selection of fragments was characterized with micro-Raman spectroscopy in order to determine their composition, in terms of main and accessory species. The morphology of the crystals and the mineral phases were also investigated with polarized-light microscopy observations, X-ray powder diffraction and Scanning Electron Microscopy with Energy-Dispersive System analyses, which corroborate the Raman results. A detailed characterization was obtained on 12 fragments ascribable to pots and a millstone, made of talc-schists or chlorite-schists, including garnet-bearing chlorite-schists. Interest findings about the activities related to the use of these artefacts and the alteration processes occurred during their burial period were highlighted by the identification of specific products. Additionally, mobile Raman measurements were performed on the fragments, and a quick and effective evaluation of their composition was successfully achieved. These results highlight the use of mobile Raman instruments in the field of archaeology, specifically referred to <i>pietra ollare</i> findings, for which a preliminary identification may be obtained directly in situ.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 2","pages":"232-245"},"PeriodicalIF":2.5,"publicationDate":"2023-12-22","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6638","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139054032","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Advanced procedures in Raman forensic, natural, and cultural heritage studies: Mobile set-up, optics, and data treatment—State of the art and perspectives","authors":"Maria Cristina Caggiani,&nbsp;Philippe Colomban","doi":"10.1002/jrs.6633","DOIUrl":"10.1002/jrs.6633","url":null,"abstract":"<p>In this introduction to the Journal of Raman Spectroscopy special issue “Advanced Raman procedures applied to natural/cultural heritage and forensic questions: Mobile set-up, data treatment and associated techniques,” the aim is to assess the state of the art in the field and to highlight potential new perspectives. The novel approaches employed in the published papers are described and can be grouped as such: application of multivariate statistical analysis to Raman spectra, use of mobile instrumentations directly in situ for both cultural and forensic contexts, tackling with optics and spectral range issues, and coupling with mobile instrumentations based on different analytical techniques.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 2","pages":"116-124"},"PeriodicalIF":2.5,"publicationDate":"2023-12-21","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6633","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138949843","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Temperature Raman study of Li4Ti5O12 and ambiguity in the number of its bands","authors":"Aleksey A. Nikiforov,&nbsp;Alexander S. Krylov,&nbsp;Svetlana N. Krylova,&nbsp;Vadim S. Gorshkov,&nbsp;Dmitry V. Pelegov","doi":"10.1002/jrs.6641","DOIUrl":"10.1002/jrs.6641","url":null,"abstract":"<p>The two primary physical methods for identifying lithium titanate, a negative electrode material used commercially, are X-Ray diffraction and Raman spectroscopy. Although there are many publications on this topic, they are focused mainly on chemistry, so there are still some points that require clarification from a physical and methodological point of view. Difference of experimentally observed and theoretically predicted Raman spectra was explained through a combination of experiments and computations. The work comprises experiments and computations to explain why there are different numbers of predicted and observed Raman-active bands. Our low-temperature study and the analysis of thermal shifts during heating led us to conclude that the approach with surplus bands is advantageous and we recommend using major F_2g band shifts to estimate the sample heating.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 3","pages":"406-415"},"PeriodicalIF":2.5,"publicationDate":"2023-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"139053594","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Raman fingerprint of the graphene buffer layer grown on the Si-terminated face of 4H-SiC(0001): Experiment and theory","authors":"Teodor Milenov,&nbsp;Peter Rafailov,&nbsp;Rositsa Yakimova,&nbsp;Ivan Shtepliuk,&nbsp;Valentin Popov","doi":"10.1002/jrs.6642","DOIUrl":"10.1002/jrs.6642","url":null,"abstract":"<p>In this work, we present the results of measurements of the Raman spectrum of the √3x√3R30° reconstruction of graphene grown on 4H-SiC(0001), the so-called buffer layer. The extracted Raman spectrum of the buffer layer shows bands, different from those of graphene, which can be attributed to the interaction of the buffer layer with the SiC substrate. In particular, in the high-wavenumber region, at least three bands are observed in the wavenumber regions 1,350–1,420, 1,470–1,490 and 1,520–1,570 cm⁻¹. The assignment of the buffer layer bands is supported here by tight-binding simulations of the one-phonon density of states for structures with a sufficiently large number of Si-C bilayers for reaching convergence. The converged phonon density of states is found to be in semi-quantitative agreement with the latter two bands, and therefore, the tight-binding predictions of the lattice dynamics of the structure can be used for their assignment to buffer layer vibrations. Namely, the Raman band at about 1,550 cm⁻¹ can be assigned to modified in-plane optical phonon branches of graphene, while the Raman band at about 1,490 cm⁻¹ can be assigned to modified folded parts of these branches inside the Brillouin zone of the buffer layer and can be considered as a Raman fingerprint of the buffer layer.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 3","pages":"416-424"},"PeriodicalIF":2.5,"publicationDate":"2023-12-19","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138959858","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"The Raman spectrum of florencite-(REE) [REEAl3(PO4)2(OH)6]: An integrated experimental and computational approach","authors":"Stefano Ghignone,&nbsp;Mauro Prencipe,&nbsp;Paola Manzotti,&nbsp;Marco Bruno,&nbsp;Federica Boero,&nbsp;Alessia Borghini,&nbsp;Emanuele Costa,&nbsp;Marco Ciriotti,&nbsp;Emanuele Scaramuzzo","doi":"10.1002/jrs.6640","DOIUrl":"10.1002/jrs.6640","url":null,"abstract":"<p>Florencite is a hydrous light rare-earth elements (LREE) aluminium phosphate [REEAl₃(PO₄)₂(OH)₆], that amongst the REE-rich minerals is quite common. The main end-members are Ce-, La- and Nd-rich terms that were found in several genetic environments. Despite the large occurrence worldwide, to the authors' knowledge, florencite has attracted very few studies, particularly concerning the characterization of its Raman spectrum. We present a detailed study of the Raman spectrum of florencite, combining experimental measurements and theoretical calculations. Experimental Raman spectra (in the 100–1300 cm⁻¹ spectral range) are measured on four florencite samples characterized by different chemical composition, that is, different REE abundance. The results highlight a remarkable coincidence between different Raman spectra measured on each sample, despite the significantly different chemical compositions in terms of their REE content. The same similarities were also observed in the computed spectra at the ab initio level; moreover, the calculations allowed the attributions of the different Raman signals to specific vibrational modes.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 3","pages":"394-405"},"PeriodicalIF":2.5,"publicationDate":"2023-12-15","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6640","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138684303","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Investigation of layered glazes coloured with carbon-based pigments using micro spatially-offset Raman spectroscopy","authors":"Caroline Bouvier,&nbsp;Stephen R. Elliott","doi":"10.1002/jrs.6635","DOIUrl":"10.1002/jrs.6635","url":null,"abstract":"<p>Non-invasive and non-destructive Raman spectroscopic techniques have been used to detect the stratigraphic variation of tints in semi-translucent films, comprising stacked layers with varying low concentrations of carbon-black pigment dispersed in a painting varnish imitating historical artist materials, as in the ‘Sfumato’ technique often associated with Leonardo da Vinci's works of art. Understanding the structures behind this effect could help to conserve such paintings. Micro-Raman spectroscopy is one of the analytical techniques usually applied to painting materials that has proved suitable for tackling the challenging detection and characterization of carbon-based pigments in organic-rich paintings. Model transparent samples have been fabricated following a selected recipe from historical sources and analysed using Raman-scattering-based experimental techniques, including micro-spatially offset Raman spectroscopy (micro-SORS). Single glaze layers spanning a range of concentrations, and multilayer systems mimicking the resulting stratigraphy of the Sfumato glaze technique, have been studied. Raman-spectroscopy performance to detect the pigment was assessed on the single layers; the spectral behaviour was characterized according to the concentration of pigment. The micro-SORS technique was tested on the multilayer systems and appears to be able to distinguish between different stratigraphic samples, varying in concentration of the same carbon-based pigment, and the order of layers. This proof-of-concept observation is promising. It calls for further studies to be undertaken to obtain comprehensive results about an increased number of model painting materials, especially for carbon-based materials mixed with other pigments.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 2","pages":"287-298"},"PeriodicalIF":2.5,"publicationDate":"2023-12-14","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138684142","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Quantification of lung surfactant lipid (dipalmitoylphosphatidylcholine/sphingomyelin) ratio in binary liposomes using Raman spectroscopy","authors":"Aneesh Vincent Veluthandath,&nbsp;Waseem Ahmed,&nbsp;Jens Madsen,&nbsp;Howard W. Clark,&nbsp;Anthony D. Postle,&nbsp;James S. Wilkinson,&nbsp;Ganapathy Senthil Murugan","doi":"10.1002/jrs.6631","DOIUrl":"10.1002/jrs.6631","url":null,"abstract":"<p>Early diagnosis of neonatal respiratory distress syndrome (nRDS) is important in reducing the mortality of preterm babies. Knowledge of the ratio of two components of lung surfactant, dipalmitoylphosphatidylcholine (DPPC), and sphingomyelin (SM) can be used as biomarkers of lung maturity and inform treatment. Raman spectroscopy is a powerful tool to analyze vibrational spectra of organic molecules which requires only limited sample preparation steps and, unlike IR spectroscopy, is not masked by water absorption. In this paper, we explore the potential of using Raman spectroscopy as a tool to estimate the ratio of DPPC and SM from aqueous vesicles of binary mixture of DPPC and SM. We demonstrate that the ratio of DPPC and SM can be estimated by estimating the ratio of intensity of CO stretch of DPPC and CC stretch of SM as well as CO stretch of DPPC and amide I of SM. Further, we employ a partial least squares regression (PLSR) model to automate the estimation and demonstrate that PLSR method can predict the DPPC and SM ratio with an <i>R</i>² value of 0.968.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 3","pages":"386-393"},"PeriodicalIF":2.5,"publicationDate":"2023-12-13","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6631","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138684209","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}

{"title":"Practical identification of cobalt-based blue pigments detecting the induced photoluminescence by a He-Ne laser using a Raman spectrometer","authors":"Sergio Ruiz-Moreno,&nbsp;MaJosé Soneira,&nbsp;Rosanna Perez-Pueyo","doi":"10.1002/jrs.6636","DOIUrl":"10.1002/jrs.6636","url":null,"abstract":"<p>Since the early 19th century, the pigment historically known as cobalt blue has been one of the most widely used in artistic painting. Its many and excellent properties led to the rapid development of different synthesis processes for the pigments known today under the generic name of cobalt-based pigments. The differentiation and characterization of these pigments is often difficult, because many of them are made of the same raw materials, mainly cobalt oxides (or salts) and alumina (aluminum oxide), even when Raman spectroscopy is used. In this research, six cobalt-based trademark pigments and two chemically pure compounds, cobalt aluminate and calcined alumina, have been analyzed using a Raman spectrometer with a red He-Ne laser (632 nm) as the excitation source. It should be noted that only the Raman band around 517 cm⁻¹ associated with the cobalt aluminate has been detected by the authors in cobalt based pigments with this configuration. In order to obtain additional information, a fundamental aim of this work has been to detect the photoluminescence (PL) emitted by the leftover of calcined alumina (α-alumina) in these compounds, particularly in the form of a strong doublet located at 1367 and 1396 cm⁻¹. From an experimental point of view, it is remarkable that both Raman and PL information can be acquired within the same spectral range of the spectrometer. Additionally, the relationship between the intensities of the Raman band around 517 cm⁻¹ and those of the doublet can be used as an indicator to estimate the quality of each pigment.</p>","PeriodicalId":16926,"journal":{"name":"Journal of Raman Spectroscopy","volume":"55 2","pages":"299-304"},"PeriodicalIF":2.5,"publicationDate":"2023-12-08","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"https://onlinelibrary.wiley.com/doi/epdf/10.1002/jrs.6636","citationCount":null,"resultStr":null,"platform":"Semanticscholar","paperid":"138562182","PeriodicalName":null,"FirstCategoryId":null,"ListUrlMain":null,"RegionNum":3,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":"OA","EPubDate":null,"PubModel":null,"JCR":null,"JCRName":null,"Score":null,"Total":0}