Anharmonicity in the Vibrational Spectra of Naphthalene and Naphthalene-d8: Experiment and Theory.

@article{Chakraborty2016AnharmonicityIT,
  title={Anharmonicity in the Vibrational Spectra of Naphthalene and Naphthalene-d8: Experiment and Theory.},
  author={Shubhadip Chakraborty and Subrata Banik and Puspendu K Das},
  journal={The journal of physical chemistry. A},
  year={2016},
  volume={120 49},
  pages={
          9707-9718
        }
}
In this paper, we report the gas phase infrared (IR) spectra of naphthalene and naphthalene-d8 recorded in the mid-infrared region (3200-500 cm-1) using a heated multipass long path gas cell. Several combination bands appear as shoulders and satellite peaks in the 3200-2600 cm-1region along with the C-H stretch fundamental bands. Experimental IR spectra of these molecules were systematically analyzed with vibrational self-consistent field (VSCF) theory, vibrational second order perturbation… CONTINUE READING
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