Lattice dynamics and vibrational spectra of lithium manganese oxides: a computer simulation and spectroscopic study
Article Abstract:
Atomistic simulation methods were employed to determine the lattice vibrational spectra of spinel-structured lithium manganese oxides. The calculated data were compared with Raman data recorded for thin-film lithium manganese oxides coated on a platinum electrode and with infrared data for bulk phases. Results support a model for the hydroxyl group in which the hydroxyl protons take up the 96g sites of the Fd3m space group, with one of the three Mn sites coordinated by the hydroxyl oxygen remaining vacant.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1999
User Contributions:
Comment about this article or add new information about this topic:
Vibrational spectra and structural transitions of potassium caprate A-form crystal
Article Abstract:
Research was conducted to examine the vibrational spectra and structural transitions of potassium caprate A-form crystal. Vibrational spectroscopy was used to study the thermal structural transition behavior of the crystal after it was synthesized. The crystalline phase A-form was given a normal-mode analysis at room temperature and vibrational assignments were made. Results reveal that the valence force field concerning the alkyl chain in the potassium soaps was identical to that of normal alkanes.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
User Contributions:
Comment about this article or add new information about this topic:
Amino acid chemistry in solution: structural study and vibrational dynamics of glutamine in solution. An ab initio reaction field model
Article Abstract:
A study was conducted to analyze structural and vibrational properties of the amino acid L-glutamine in solution using self-consistent reaction field theory. The aqueous solutions were made by utilizing tridistilled water and deuterium oxide. The Jobin Yvon Ramanor was utilized to record the Raman spectra of the solutions. Experimental results indicated that structural parameters and vibrational frequencies correlated with experimental data.
Publication Name: Journal of Physical Chemistry B
Subject: Chemicals, plastics and rubber industries
ISSN: 1520-6106
Year: 1998
User Contributions:
Comment about this article or add new information about this topic:
- Abstracts: Congruent vaporization of solid manganese monotelluride and the effects of phase transitions: a high-temperature mass spectrometric study
- Abstracts: Energetics and dynamics in MbCN:[CN.sup.-]-vibrational relaxation from molecular dynamics simulations. Dissociative water potential for molecular dynamics simulations
- Abstracts: Anisotropic photochemical reactivity of bulk TiO2 crystals. Polarization reversal in AlPO4(super -5) crystals containing polar or nonpolar organic molecules: a scanning pyroelectric microscopy study
- Abstracts: Relationship between chemical bonding nature and electrochemical property of LiMn(sub 2)O(sub 4) spinel oxides with various particle sizes: "electrochemical grafting" concept
- Abstracts: Electrochemical synthesis of polymerized LiC60 films. Investigation of encapsulation and solvatochromism of fullerenes in binary solvent mixtures