scholarly journals Structural, textural, and chemical controls on the OH stretching vibrations in serpentine-group minerals

2021 ◽  
Vol 33 (4) ◽  
pp. 447-462
Author(s):  
Emmanuel Fritsch ◽  
Etienne Balan ◽  
Sabine Petit ◽  
Farid Juillot

Abstract. The OH stretching vibrational properties of eight serpentine samples from veins of the New Caledonian ophiolite have been investigated by Fourier-transform infrared spectroscopy (FTIR) in the mid-infrared and near-infrared ranges and by Raman spectroscopy. The samples were selected for their monophasic composition (Lz: lizardite; Ctl: chrysotile; and Atg: antigorite) making them representative of the three serpentine species. Comparison of fundamental and overtone spectra allowed us to interpret most of the observed bands and to propose consistent spectral decomposition in individual components. The OH stretching bands related to intrinsic vibrational properties of the minerals are distinguished from those associated with chemical substitutions in octahedral sites (mainly Fe and Ni for Mg substitutions). Observations made on the most symmetric Lz are consistent with previous interpretations and underline the effect of macroscopic parameters on OH stretching bands in the FTIR spectra. The major importance of the distribution of OH bond lengths in the broadening of the vibrational signals of the less symmetric and more distorted Atg is confirmed. The combination of the three spectroscopic methods makes it possible to unravel the occurrence of two different types of interlayer OH environments in Ctl nanotubes. One corresponds to the features observed at 3684 and 7171 cm−1 in the fundamental and overtone spectra, respectively, and is similar to the local OH environment observed in Lz. The other corresponds to broader signals observed at 3693 and 7200 cm−1 in the fundamental and overtone spectra, respectively. It reflects a distribution of OH bond lengths likely related to local structural misfits between adjacent layers in the tubular structure of Ctl.

1989 ◽  
Vol 43 (5) ◽  
pp. 865-873 ◽  
Author(s):  
Matthew J. Smith ◽  
Richard T. Carl

In this report, several applications of near-infrared microspectroscopy are illustrated using unmodified commercial instrumentation. The principal advantage of near-infrared microspectroscopy is the ability to analyze small samples which are totally absorbing in the mid-infrared region. Near-infrared analysis is shown to yield useful structural information about several different types of samples. Examples from the fields of materials science, single crystals, forensics and biological science are illustrated, and some tentative band assignments are made.


Clay Minerals ◽  
2002 ◽  
Vol 37 (4) ◽  
pp. 617-628 ◽  
Author(s):  
J . Bishop ◽  
E. Murad ◽  
M. D. Dyar

AbstractAnalysis of the near-infrared (NIR) spectral bands of phyllosilicates, together with the mid-infrared bands, enables testing and confirmation of band assignments for the structural OH vibrations. Spectral analyses of selected smectites and serpentine-kaolin minerals are presented here. The results of this study indicate that dioctahedral smectites may contain both in-plane and out-of-plane OH-bending vibrations, as suggested by Farmer (1974). In-plane bands occur near 800 ­ 915 cm–1, while the weaker out-of-plane vibrations occur near 600 ­ 700 cm–1 and are enhanced in dioctahedral smectites when the structure is disrupted by substitutions. Analysis of the OH-stretching vibrations and their NIR overtone bands is also presented for both smectites and serpentine-kaolin minerals. These overtones are more straightforward for serpentines than for kaolinite, and a strong overtone associated with the kaolinite OH-stretching band at 3620 cm–1 is found that supports its assignment as an OH-stretching band.


1990 ◽  
Vol 55 (6) ◽  
pp. 1485-1490 ◽  
Author(s):  
Peter Schwendt ◽  
Milan Sýkora

The infrared and Raman spectra of M2[V2O2(O2)4(H2O)]·xH2O and M2[V2O2(O2)4(D2O)]·xD2O (M = N(CH3)4, Cs) were measured. In the region of the vanadium-oxygen stretching vibrations, the spectra were interpreted based on normal coordinate analysis, employing empirical correlations between the bond lengths and force constants.


2021 ◽  
Vol 11 (7) ◽  
pp. 3209
Author(s):  
Karla R. Borba ◽  
Didem P. Aykas ◽  
Maria I. Milani ◽  
Luiz A. Colnago ◽  
Marcos D. Ferreira ◽  
...  

Portable spectrometers are promising tools that can be an alternative way, for various purposes, of analyzing food quality, such as monitoring in a few seconds the internal quality during fruit ripening in the field. A portable/handheld (palm-sized) near-infrared (NIR) spectrometer (Neospectra, Si-ware) with spectral range of 1295–2611 nm, equipped with a micro-electro-mechanical system (MEMs), was used to develop prediction models to evaluate tomato quality attributes non-destructively. Soluble solid content (SSC), fructose, glucose, titratable acidity (TA), ascorbic, and citric acid contents of different types of fresh tomatoes were analyzed with standard methods, and those values were correlated to spectral data by partial least squares regression (PLSR). Fresh tomato samples were obtained in 2018 and 2019 crops in commercial production, and four fruit types were evaluated: Roma, round, grape, and cherry tomatoes. The large variation in tomato types and having the fruits from distinct years resulted in a wide range in quality parameters enabling robust PLSR models. Results showed accurate prediction and good correlation (Rpred) for SSC = 0.87, glucose = 0.83, fructose = 0.87, ascorbic acid = 0.81, and citric acid = 0.86. Our results support the assertion that a handheld NIR spectrometer has a high potential to simultaneously determine several quality attributes of different types of tomatoes in a practical and fast way.


2007 ◽  
Vol 50 (2-3) ◽  
pp. 211-216 ◽  
Author(s):  
S.V. Bandara ◽  
S.D. Gunapala ◽  
D.Z. Ting ◽  
J.K. Liu ◽  
C.J. Hill ◽  
...  

1993 ◽  
Vol 1 (2) ◽  
pp. 99-108 ◽  
Author(s):  
P. Robert ◽  
M.F. Devaux ◽  
A. Qannari ◽  
M. Safar

Multivariate data treatments were applied to mid and near infrared spectra of glucose, fructose and sucrose solutions in order to specify near infrared frequencies that characterise each carbohydrate. As a first step, the mid and near infrared regions were separately studied by performing Principal Component Analyses. While glucose, fructose and sucrose could be clearly identified on the similarity maps derived from the mid infrared spectra, only the total sugar content of the solutions was observed when using the near infrared region. Characteristic wavelengths of the total sugar content were found at 2118, 2270 and 2324 nm. In a second step, the mid and near infrared regions were jointly studied by a Canonical Correlation Analysis. As the assignments of frequencies are generally well known in the mid infrared region, it should be useful to study the relationships between the two infrared regions. Thus, the canonical patterns obtained from the near infrared spectra revealed wavelengths that characterised each carbohydrate. The OH and CH combination bands were observed at: 2088 and 2332 nm for glucose, 2134 and 2252 nm for fructose, 2058 and 2278 nm for sucrose. Although a precise assignment of the near infrared bands to chemical groups within the molecules was not possible, the present work showed that near infrared spectra of carbohydrates presented specific features.


Oceans ◽  
2021 ◽  
Vol 2 (2) ◽  
pp. 315-329
Author(s):  
Antoine Collin ◽  
Mark Andel ◽  
David Lecchini ◽  
Joachim Claudet

Shallow coral reefs ensure a wide portfolio of ecosystem services, from fish provisioning to tourism, that support more than 500 million people worldwide. The protection and sustainable management of these pivotal ecosystems require fine-scale but large-extent mapping of their 3D composition. The sub-metre spaceborne imagery can neatly produce such an expected product using multispectral stereo-imagery. We built the first 3D land-sea coral reefscape mapping using the 0.3 m superspectral WorldView-3 stereo-imagery. An array of 13 land use/land cover and sea use/sea cover habitats were classified using sea-, ground- and air-truth data. The satellite-derived topography and bathymetry reached vertical accuracies of 1.11 and 0.89 m, respectively. The value added of the eight mid-infrared (MIR) channels specific to the WorldView-3 was quantified using the classification overall accuracy (OA). With no topobathymetry, the best combination included the eight-band optical (visible + near-infrared) and the MIR8, which boosted the basic blue-green-red OA by 9.58%. The classes that most benefited from this MIR information were the land use “roof” and land cover “soil” classes. The addition of the satellite-derived topobathymetry to the optical+MIR1 produced the best full combination, increasing the basic OA by 9.73%, and reinforcing the “roof” and “soil” distinction.


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