Analysis of phase transitions in molecular solids: quantitative assessment of phonon-mode vs intra-molecular spectral data

RSC Advances ◽  
2012 ◽  
Vol 2 (1) ◽  
pp. 209-216 ◽  
Author(s):  
Aalae Alkhalil ◽  
Jagadeesh Babu Nanubolu ◽  
Jonathan C. Burley
Keyword(s):  
Phase Transitions ◽  
Spectral Data ◽  
Quantitative Assessment ◽  
Phonon Mode ◽  
Molecular Solids

scholarly journals SSHADE, its solid spectra databases and its future band list of molecular solids

2020 ◽  
Author(s):  
Bernard Schmitt ◽  
Philippe Bollard ◽  
Damien Albert ◽  
Lydie Bonal ◽  
Olivier Poch ◽  
...  
Keyword(s):  
Spectral Data ◽  
Atomic Formula ◽  
Molecular Solids ◽  
X Rays ◽  
Absorption Bands ◽  
Band Position ◽  
Wide Range ◽  
Different Temperatures ◽  
Search Tool ◽  
Formula Type

<p>The SSHADE database infrastructure (http://www.sshade.eu) hosts spectral data of many different types of solids: ices, snows, minerals, carbonaceous matters, meteorites, IDPs and other cosmo-materials,… covering a wide range of wavelengths: from X-rays to millimeter wavelengths.</p> <p>Its Search / Visualization / Export interface is open to the community since February 2018. It currently contains over 3500 spectra.</p> <p>We are currently developping a 'band list' database that will provide the band parameters (position, width, intensity, isotopic  species, attribution mode, ...) of a number of solids of astrophysical and planetary interest in various phases (crystalline, amorphous, ...) and mixtures (different compositions) and at different temperatures or pressures. We will first feed this database from critical compilations of all data published in various journals for pure ices and molecular solids (hydrates, clathrates, sulfur compounds, ...) and their mixture, including the own works of the members of the SSHADE consortium.</p> <p>An efficient search tool will allow to filter on various parameters such as band position (or spectral range) and intensity, expected molecular or atomic formula, type of vibration (e.g. infrared, Raman, fluorescence...) and display the results graphically. A demonstrator prototype is online in the 'old GhoSST' database (https://ghosst.osug.fr/search/band).</p> <p>This band list will be a key tool for astronomers and space explorers to identify unknown absorption bands observed in the spectra of the surface or atmosphere of many objects in the solar system. Once the best candidate solid selected by the user the tool will point to the best relevant spectral data present in the SSHADE databases. </p> <p> </p> <p> </p>

scholarly journals PFA: Program for the Quantitative Assessment of Cell Metabolism by Spectral Data Analysis

2008 ◽  
Vol 3 (2) ◽  
pp. 65-67
Author(s):  
Chris Orr ◽  
Stephen Scott ◽  
Fouad Kandeel ◽  
Kevin Ferreri
Keyword(s):  
Data Analysis ◽  
Spectral Data ◽  
Quantitative Assessment ◽  
Cell Metabolism ◽  
Spectral Data Analysis

scholarly journals Optical spectroscopy of ErFe3(BO3)4: detection of phase transitions and crystal-field levels of the Er3+ ground multiplet

2018 ◽  
Vol 185 ◽  
pp. 07002 ◽  
Author(s):  
Dmitry Erofeev ◽  
Artjoms Jablunovskis ◽  
Elena Chukalina
Keyword(s):  
Phase Transitions ◽  
Single Crystals ◽  
Crystal Field ◽  
Phonon Mode ◽  
Structural Phase ◽  
Exchange Splitting ◽  
Temperature Behaviour ◽  
Interference Band ◽  
Ground Multiplet ◽  
Ordered State

High-resolution spectra of oriented ErFe3(BO3)4 single crystals are registered in the spectral range 500 – 8000 cm-1 at various temperatures (4 – 470 K). The temperature behaviour of the phonon mode at 976 cm-1 allowed us to register a structural phase transition at TS=431 K. The energies of crystal-field levels of the ground 4I15/2 and the first excited 4I13/2 multiplets of the Er3+ ion are determined in the paramagnetic state of ErFe3(BO3)4. The exchange splitting of the ground Kramers doublet in the magnetically ordered state was found to be Δ0=6.3±1 cm-1. The interference occurring due to birefringence in the single crystals was also registered. The temperature dependence of the position of the maximum of the interference band demonstrates two anomalies, at TN and TS, associated with the phase transitions in ErFe3(BO3)4.

Rotational phase transitions in molecular solids

1971 ◽  
Vol 9 (14) ◽  
pp. v
Author(s):  
D.S. Webster ◽  
M.J.R. Hoch
Keyword(s):  
Phase Transitions ◽  
Molecular Solids ◽  
Rotational Phase
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