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Infrared absorption spectra of linear (L2–L5) and cyclic (D3–D6) permethylsiloxanes



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  • Journal Title:
    Journal of Quantitative Spectroscopy and Radiative Transfer
  • Personal Author:
  • NOAA Program & Office:
  • Description:
    Absolute infrared absorption spectra of the linear (hexamethyldisiloxane ((CH3)3SiOSi(CH3)3, L2), octamethyltrisiloxane ([(CH3)3SiO]2Si(CH3)2, L3), decamethyltetrasiloxane ([(CH3)3SiO]2(Si(CH3)2OSi(CH3)2), L4), dodecamethylpentasiloxane ([(CH3)3SiO]2(Si(CH3)2OSi(CH3)2OSi(CH3)2), L5), and cyclic hexamethylcyclotrisiloxane ([single bondSi(CH3)2Osingle bond]3, D3), octamethylcyclotetrasiloxane ([single bondSi(CH3)2Osingle bond]4, D4), decamethylcyclopentasiloxane ([single bondSi(CH3)2Osingle bond]5, D5), and dodecamethylcyclohexasiloxane ([single bondSi(CH3)2Osingle bond]6, D6)) permethylsiloxanes were measured over the 600–4000  cm−1 spectral region at 294  K using Fourier transform infrared (FTIR) spectroscopy at 1  cm−1 resolution. Measurements were performed using manometrically prepared dilute permethylsiloxane mixtures in a He bath gas and infusion of the pure compound into a calibrated gas flow. Theoretical calculations at the B97-1/6-311++G(2df,2p) level of theory were performed and optimized permethylsiloxane geometries and vibrational band positions and strengths are reported. The theoretically calculated infrared spectra are compared with the experimental spectra and found to be in good agreement. The radiative efficiencies (RE) of the permethylsiloxanes were calculated and found to be extremely large in comparison with other atmospheric greenhouse gases, with values ranging from 0.55 to 2.02  W  m−2  ppb−1 for a uniform atmospheric distribution, i.e., well-mixed scenario.
  • Source:
    Journal of Quantitative Spectroscopy and Radiative Transfer, 202, 247-254
  • DOI:
  • ISSN:
    0022-4073
  • Format:
    pdf
  • Publisher:
    Elsevier BV
  • Document Type:
    Journal Article-Accepted Manuscript
  • Rights Information:
    Accepted Manuscript
  • Rights Statement:
    The NOAA IR provides access to this content under the authority of the government's retained license to distribute publications and data resulting from federal funding. While users may legally access this content, the copyright owners retain rights that govern the reproduction, redistribution, and re-use of this work. The user is solely responsible for complying with applicable copyright law.
  • Compliance:
    Library
  • Main Document Checksum:
    urn:sha-512:61d0ff4e7c8be2ba69943200d6eb5989ae3c20ea29dbbcdc3669fc0b375984f068a3fc6801b571ecfb8be7e01316fde8302b301719ab44b0e03d11541614afac
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  • File Type:
    Filetype[PDF - 1.40 MB ]
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