|کد مقاله||کد نشریه||سال انتشار||مقاله انگلیسی||ترجمه فارسی||نسخه تمام متن|
|1250250||970798||2011||9 صفحه PDF||سفارش دهید||دانلود رایگان|
Infrared and Raman spectra have been collected and analyzed for n-pentane and n-pentane-d12. The real (n) and imaginary (k) refractive index spectra for each compound have been calculated from the experimental infrared spectra after determining the refractive indices of n-pentane across the visible region of the electromagnetic spectrum. To further aid in the study, the imaginary polarizability (IP) spectrum for each compound was calculated from the n and k spectra, then curvefit to separate intensities. Computational DFT calculations were performed to create theoretical spectra of each compound, which in turn aid in assigning vibrations in the experimental spectrum. Barriers to rotation for n-pentane were explored to determine the dominant conformations.
Journal: Vibrational Spectroscopy - Volume 57, Issue 1, 16 September 2011, Pages 72–80