Raman, FTIR, Photoacoustic-Infrared, and Inelastic Neutron Scattering Spectra of Ternary Metal Hydride Salts A2MH5, (A = Ca, Sr, Eu; M = Ir, Rh) and Their Deuterides

The vibrational spectra of the ternary metal hydride (deuteride) salts, A2MH5 and A2MD5, where A = calcium, strontium and europium and M = iridium(I) and rhodium(I), have been assigned using Raman, Fourier transform infrared, photoacoustic infrared, and inelastic neutron scattering spectroscopies an...

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Veröffentlicht in:The journal of physical chemistry. A, Molecules, spectroscopy, kinetics, environment, & general theory Molecules, spectroscopy, kinetics, environment, & general theory, 2012-03, Vol.116 (10), p.2490-2496
Hauptverfasser: Barsan, Mirela M, Butler, Ian S, Gilson, Denis F. R, Moyer, Ralph O, Zhou, Wei, Wu, Hui, Udovic, Terrence J
Format: Artikel
Sprache:eng
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Zusammenfassung:The vibrational spectra of the ternary metal hydride (deuteride) salts, A2MH5 and A2MD5, where A = calcium, strontium and europium and M = iridium(I) and rhodium(I), have been assigned using Raman, Fourier transform infrared, photoacoustic infrared, and inelastic neutron scattering spectroscopies and density functional theory (DFT) calculations. The wavenumbers of the infrared-active stretching vibrations depend upon the ionization energies of the central metal atom and the cation. The phase transition in calcium pentahydridoiridate(I) was studied as a function of temperature and pressure.
ISSN:1089-5639
1520-5215
DOI:10.1021/jp212194z