IR and Raman analysis of diatomic encapsulates in fullerene cages

1999 ◽  
Author(s):  
M. Hulman ◽  
M. Krause ◽  
M. Inakuma ◽  
J. Dennis ◽  
H. Shinohara ◽  
...  
Keyword(s):  
Raman Analysis ◽  
Ir And Raman

scholarly journals Electrochemical and Spectroscopic Studies of Nanocomposites Laden with BaTiO3-grafted-graphene Oxide

2018 ◽  
pp. 319-327
Author(s):  
S. Padmaja ◽  
R. Nimma Elizabeth
Keyword(s):  
Electrochemical Impedance ◽  
Coulombic Efficiency ◽  
Ion Pairs ◽  
Spectroscopic Studies ◽  
Solid Polymer ◽  
Raman Analysis ◽  
Raman Spectroscopic ◽  
Lithium Sulfur Batteries ◽  
Ft Ir ◽  
Ir And Raman

The electrochemical behavior of lithium-sulfur batteries was investigated by means of electrochemical impedance spectroscopy (EIS). Films of NCPEs (PEO+LiCF3SO3+BaTiO3-g-GO) were cast using a novel hot-press technique. The addition of filler in fractional amount to the solid polymer matrix at room temperature further enhances the ionic conductivity. The membranes were subjected to cycling, FT-IR and Raman spectroscopic analyses. The occurrence of ion-ion pairs interaction has been identified using FT-IR and Raman analysis. Cells with this electrolyte have a high coulombic efficiency of 98% and a high cycling stability.

scholarly journals Viscosity and structure evolution of the SiO2-MgO-FeO-CaO-Al2O3 slag in ferronickel smelting process from laterite

2017 ◽  
Vol 53 (2) ◽  
pp. 147-154 ◽  
Author(s):  
X.M. Lv ◽  
X.W. Lv ◽  
L.W. Wang ◽  
J. Qiu ◽  
M. Liu
Keyword(s):  
Smelting Process ◽  
Structure Evolution ◽  
Raman Analysis ◽  
Slag Volume ◽  
Slag Structure ◽  
Nickel Ores ◽  
Ft Ir ◽  
Ir And Raman ◽  
Liquid And Solid Phases ◽  
Furnace Volume

The SiO2 fractions in laterite-nickel ores are quite high, thus certain amount of lime should be used as fluxing material to achieve good fluidity and desulfurization capacity in industrial smelting process. However, this operation leads to an additional cost of lime. In addition, the increase of slag volume decreases the effective furnace volume. To avoid such problem, partial reduction of FeO has been suggested. Therefore, the high SiO2, low MgO and FeO and very little CaO slag is formed, which was less studied in the previous literature. Therefore, the viscosity and slag structure are investigated in the present study through FT-IR and Raman analysis methods. Experimental results show that the slag is a mixture of liquid and solid phases under the experimental temperature. The FT-IR and Raman spectra show that the fractions of the complex polymerization structure decrease significantly with the increase of FeO content and slag basicity, resulting in the decrease of apparent viscosity.

Solid State Analysis and Theoretical Explorations on Polymorphic and Hydrate Forms of p-Hydroxybenzaldehyde Isonicotinichydrazone: Effect of Additives on Polymorphic Crystallization

2018 ◽  
Author(s):  
Lincy Tom ◽  
Victoria A. Smolenski ◽  
Jerry P. Jasinski ◽  
M.R. Prathapachandra Kurup
Keyword(s):  
Hirshfeld Surface ◽  
Framework Analysis ◽  
Reaction Conditions ◽  
Space Groups ◽  
Effect Of Additives ◽  
Ft Ir ◽  
Packing Arrangement ◽  
The Stability ◽  
Ir And Raman ◽  
Isonicotinic Hydrazide

The reaction of p-hydroxybenzaldehyde with an equimolar amount of isonicotinic hydrazide afforded two polymorphic and hydrate forms of p-hydroxybenzaldehyde isonicotinichydrazone (HBIH) by varying the experimental reaction conditions. The compounds are fully characterized by means of single crystal and powder diffraction methods, vibrational spectroscopy (FT-IR and Raman), thermal and elemental analysis. The compound crystallizes in three different forms in two different space groups, P21/c (form PA and PB) and Pbca (PC). The Hirshfeld surface analysis shows the differences in the relative contributions of intermolecular interactions to the total Hirshfeld surface area for the HBIH molecules. The calculated pairwise interaction energies (104-116 kJ/mol) can be related to the stability of the crystals. Energy framework analysis identifies the interaction hierarchy and their topology. The geometry and conformation of the three forms are essentially similar which differ only by packing arrangement.

Solid State Analysis and Theoretical Explorations on Polymorphic and Hydrate Forms of p-Hydroxybenzaldehyde Isonicotinichydrazone: Effect of Additives on Polymorphic Crystallization

2018 ◽  
Author(s):  
Lincy Tom ◽  
Victoria A. Smolenski ◽  
Jerry P. Jasinski ◽  
M.R. Prathapachandra Kurup
Keyword(s):  
Hirshfeld Surface ◽  
Framework Analysis ◽  
Reaction Conditions ◽  
Space Groups ◽  
Effect Of Additives ◽  
Ft Ir ◽  
Packing Arrangement ◽  
The Stability ◽  
Ir And Raman ◽  
Isonicotinic Hydrazide

The reaction of p-hydroxybenzaldehyde with an equimolar amount of isonicotinic hydrazide afforded two polymorphic and hydrate forms of p-hydroxybenzaldehyde isonicotinichydrazone (HBIH) by varying the experimental reaction conditions. The compounds are fully characterized by means of single crystal and powder diffraction methods, vibrational spectroscopy (FT-IR and Raman), thermal and elemental analysis. The compound crystallizes in three different forms in two different space groups, P21/c (form PA and PB) and Pbca (PC). The Hirshfeld surface analysis shows the differences in the relative contributions of intermolecular interactions to the total Hirshfeld surface area for the HBIH molecules. The calculated pairwise interaction energies (104-116 kJ/mol) can be related to the stability of the crystals. Energy framework analysis identifies the interaction hierarchy and their topology. The geometry and conformation of the three forms are essentially similar which differ only by packing arrangement.

Submicron Simultaneous IR and Raman Spectroscopy (IR+Raman): Breakthrough Developments in Optical Photothermal IR (O-PTIR) Combined for Enhanced Failure Analysis

2019 ◽  
Author(s):  
Jay Anderson ◽  
Mustafa Kansiz ◽  
Michael Lo ◽  
Curtis Marcott
Keyword(s):  
Raman Spectroscopy ◽  
Failure Analysis ◽  
Data Quality ◽  
Raman Spectra ◽  
Spatial Resolution ◽  
Far Field ◽  
Field Mode ◽  
Microscopic Scale ◽  
Analytical Tools ◽  
Ir And Raman

Abstract Failure analysis of organics at the microscopic scale is an increasingly important requirement, with traditional analytical tools such as FTIR and Raman microscopy, having significant limitations in either spatial resolution or data quality. We introduce here a new method of obtaining Infrared microspectroscopic information, at the submicron level in reflection (far-field) mode, called Optical-Photothermal Infrared (O-PTIR) spectroscopy, that can also generate simultaneous Raman spectra, from the same spot, at the same time and with the same spatial resolution. This novel combination of these two correlative techniques can be considered to be complimentary and confirmatory, in which the IR confirms the Raman result and vice-versa, to yield more accurate and therefore more confident organic unknowns analysis.

Synthesis, Conformational Analysis, Infrared, Raman and UV-Visible Spectra of Novel Schiff Bases compiled with DFT Calculations

2020 ◽  
Vol 23 (7) ◽  
pp. 568-586
Author(s):  
Samy M. Ahmed ◽  
Ibrahim A. Shaaban ◽  
Elsayed H. El-Mossalamy ◽  
Tarek A. Mohamed
Keyword(s):  
Schiff Bases ◽  
1H Nmr ◽  
Electronic Absorption Spectra ◽  
Chemical Shifts ◽  
Basis Set ◽  
Oh Groups ◽  
Vibrational Assignments ◽  
Cartesian Coordinate ◽  
Surface Scan ◽  
Ir And Raman

Objective: Two novel Schiff bases named, 2-((2-Hydroxybenzylidene)amino)-4,5,6,7- tetrahydrobenzo[b] thiophene-3-carbonitrile (BESB1) and 2-((Furan-2-ylmethylene)amino)-4,5,6, 7-tetrahydro-benzo[b]thiophene-3-carbonitrile (BESB2) were synthesized. Methods: The structures were characterized based on CHN elemental analysis, mid-infrared (400– 4000 cm-1), Raman (100-4000 cm-1), 1H NMR, mass and UV-Vis spectroscopic measurements. In addition, quantum mechanical calculations using DFT-B3LYP method at 6-31G(d) basis set were carried out for both Schiff bases. Initially, we have carried out complete geometry optimizations followed by frequency calculations for the proposed conformational isomers; BESB1 (A–E) and BESB2 (F–J) based on the orientations of both CN and OH groups against the azomethine lonepair (NLP) in addition to the 3D assumption. Results: The computational outcomes favor conformer A for BESB1 in which the C≡N and OH moieties are cis towards the NLP while conformer G is preferred for BESB2 (the C≡N/furan-O are cis/trans towards the NLP) which was found consistent with the results of relaxed potential energy surface scan. Aided by normal coordinate analysis of the Cartesian coordinate displacements, we have suggested reliable vibrational assignments for all observed IR and Raman bands. Moreover, the electronic absorption spectra for the favored conformers were predicted in DMSO solution using TD-B3LYP/6-31G(d) calculations. Similarly, the 1H NMR chemical shifts were also estimated using GIAO approach implementing PCM including solvent effects (DMSO-d6). Conclusion: Proper interpretations of the observed electronic transition, chemical shifts, IR and Raman bands were presented in this study.

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