Far-infrared spectroscopy of small polycyclic aromatic hydrocarbons.

Both experimental and theoretical spectroscopic studies on small gas phase polycyclic aromatic hydrocarbons in the far-infrared spectral region are reported. The experimental set-up based on thermal emission and Fourier transform far infrared analysis led to the detection of relatively broad vibrational bands, unresolved in rotation, representative of each molecule. Detailed theoretical investigations were performed, including both ab initio calculations and spectral simulations. For the majority of the samples, this study provides the first detection of the vibrational modes associated with the skeleton motions.

[1]  S. Schlemmer,et al.  Single photon infrared emission spectroscopy: a study of IR emission from UV laser excited PAHs between 3 and 15 micrometers. , 1998, The journal of physical chemistry. A.

[2]  D. Joo,et al.  High-Resolution Spectroscopy of Jet-Cooled Naphthalene: the 000 and 3301 Bands of the Ã1B1u←X̃1Ag Transition , 2002 .

[3]  O. Parisel,et al.  Electronic and vibrational spectra of matrix isolated anthracene radical cations - Experimental and theoretical aspects , 1993 .

[4]  Jan M. L. Martin,et al.  Structure and Vibrational Spectrum of Some Polycyclic Aromatic Compounds Studied by Density Functional Theory. 1. Naphthalene, Azulene, Phenanthrene, and Anthracene† , 1996 .

[5]  R. Saykally,et al.  Infrared cavity ringdown spectroscopy of jet-cooled polycyclic aromatic hydrocarbons. , 2004, Chemphyschem : a European journal of chemical physics and physical chemistry.

[6]  A. Miani,et al.  The gas-phase infrared spectra of phenanthrene-h10 and phenanthrene-d10 , 1997 .

[7]  S. Sandford,et al.  Infrared spectroscopy of polycyclic aromatic hydrocarbon cations. 1. Matrix-isolated naphthalene and perdeuterated naphthalene. , 1994, The Journal of physical chemistry.

[8]  S. Sandford,et al.  Infrared Spectroscopy of Matrix Isolated Polycyclic Aromatic Hydrocarbons. 1. PAHs Containing Two to Four Rings , 1998 .

[9]  M. Vala,et al.  Infrared frequencies and intensities for astrophysically important polycyclic aromatic hydrocarbon cations , 1993 .

[10]  P. Bernath,et al.  Far-Infrared Emission Spectra of Selected Gas-Phase PAHs: Spectroscopic Fingerprints , 1996, Science.

[11]  P. Bernath.  6 Infrared emission spectroscopy , 2000 .

[12]  T. L. Smithson,et al.  The vapour phase far-infrared spectra of naphthalene-h8 and -d8 , 1978 .

[13]  S. Langhoff.  Theoretical Infrared Spectra for Polycyclic Aromatic Hydrocarbon Neutrals, Cations and Anions , 1996 .

[14]  J. Oomens,et al.  Vibrational spectroscopy of gas-phase neutral and cationic phenanthrene in their electronic groundstates. , 2001, Spectrochimica acta. Part A, Molecular and biomolecular spectroscopy.

[15]  Jan M. L. Martin,et al.  Basis set convergence and performance of density functional theory including exact exchange contributions for geometries and harmonic frequencies , 1995 .

[16]  N. Van-Oanh,et al.  Vibrational Dynamics of the Neutral Naphthalene Molecule from a Tight-Binding Approach , 2002 .

[17]  A. Miani,et al.  The gas-phase infrared spectra of anthracene-h10 and anthracene-d10 , 1997 .

[18]  W. Demtröder,et al.  Doppler-free laser polarization and optical–optical double resonance polarization labeling spectroscopies of a large molecule: Naphthalene , 2003 .

[19]  O. Pirali,et al.  Far-infrared Fourier transform emission spectroscopy in the gas phase , 2006 .