Spectroscopic studies of the phase transition in ammonia borane: Raman spectroscopy of single crystal NH3BH3 as a function of temperature from 88 to 330 K
Raman spectra of single crystal ammonia borane, NH3BH3, were recorded as a function of temperature from 88 to 300 K using Raman microscopy and a variable temperature stage. The orthorhombic to orientationally disordered tetragonal phase transition at 225 K was clearly evident from the decrease in th...
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| Veröffentlicht in: | The Journal of chemical physics 2008-01, Vol.128 (3), p.034508-034508 |
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| container_end_page | 034508 |
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| container_issue | 3 |
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| container_title | The Journal of chemical physics |
| container_volume | 128 |
| creator | Hess, Nancy J Bowden, Mark E Parvanov, Vencislav M Mundy, Chris Kathmann, Shawn M Schenter, Gregory K Autrey, Tom |
| description | Raman spectra of single crystal ammonia borane, NH3BH3, were recorded as a function of temperature from 88 to 300 K using Raman microscopy and a variable temperature stage. The orthorhombic to orientationally disordered tetragonal phase transition at 225 K was clearly evident from the decrease in the number of vibrational modes. However, some of the modes in the orthorhombic phase appeared to merge 10-12 K below the phase transition perhaps suggesting the presence of an intermediate phase. Factor group analysis of vibrational spectra for both orthorhombic and tetragonal phase is provided. In addition, electronic structure calculations are used to assist in the interpretation and assignment of the normal modes. |
| doi_str_mv | 10.1063/1.2820768 |
| format | Article |
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The orthorhombic to orientationally disordered tetragonal phase transition at 225 K was clearly evident from the decrease in the number of vibrational modes. However, some of the modes in the orthorhombic phase appeared to merge 10-12 K below the phase transition perhaps suggesting the presence of an intermediate phase. Factor group analysis of vibrational spectra for both orthorhombic and tetragonal phase is provided. 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The orthorhombic to orientationally disordered tetragonal phase transition at 225 K was clearly evident from the decrease in the number of vibrational modes. However, some of the modes in the orthorhombic phase appeared to merge 10-12 K below the phase transition perhaps suggesting the presence of an intermediate phase. Factor group analysis of vibrational spectra for both orthorhombic and tetragonal phase is provided. 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The orthorhombic to orientationally disordered tetragonal phase transition at 225 K was clearly evident from the decrease in the number of vibrational modes. However, some of the modes in the orthorhombic phase appeared to merge 10-12 K below the phase transition perhaps suggesting the presence of an intermediate phase. Factor group analysis of vibrational spectra for both orthorhombic and tetragonal phase is provided. In addition, electronic structure calculations are used to assist in the interpretation and assignment of the normal modes.</abstract><cop>United States</cop><pmid>18205511</pmid><doi>10.1063/1.2820768</doi><tpages>1</tpages></addata></record> |
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| identifier | ISSN: 0021-9606 |
| ispartof | The Journal of chemical physics, 2008-01, Vol.128 (3), p.034508-034508 |
| issn | 0021-9606 1089-7690 |
| language | eng |
| recordid | cdi_osti_scitechconnect_924660 |
| source | AIP Journals Complete; AIP Digital Archive; Alma/SFX Local Collection |
| subjects | AMMONIUM COMPOUNDS BORANES Environmental Molecular Sciences Laboratory INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY PHASE TRANSFORMATIONS RAMAN SPECTROSCOPY TEMPERATURE RANGE 0065-0273 K TEMPERATURE RANGE 0273-0400 K |
| title | Spectroscopic studies of the phase transition in ammonia borane: Raman spectroscopy of single crystal NH3BH3 as a function of temperature from 88 to 330 K |
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