title: Vibrational spectra and surface-enhanced vibrational spectra of 1-nitropyrene.
abstract: The present report on the vibrational spectra of 1-nitropyrene (1NP) describes the infrared and Raman spectra; their interpretation is aided by local density functional theory (DFT) calculations at the B3LYP/6-311G(d, p) level of theory and by the surface-enhanced vibrational spectra (SEVS) with the final objective of trace organic analytical applications. The surface-enhanced Raman scattering (SERS) on silver island films and mixed silver/gold island films was investigated with several laser lines in the visible region. Surface-enhanced infrared absorption (SEIRA) was attempted on silver and gold island films. The interface of the organic 1-NP with smooth metal surfaces of silver and copper was also probed using reflection-absorption infrared (RAIRS) spectra that, in conjunction with the transmission spectra, allow one to extract the molecular orientation in vacuum evaporated thin solid films. Chemical adsorption of 1-NP on silver and further photochemical decomposition of the 1-NP-metal adsorbates was detected with all visible laser lines. Resonance Raman scattering (RRS) using UV-laser excitation at 325 nm was also recorded.
authors.affiliation: Molecular Spectroscopy Laboratory, Department of Chemistry, Faculty of Science, University of Chile, Casilla 653, Santiago, Chile.
authors.forename: E A
authors.initials: EA
authors.lastname: Carrasco-Flores
authors.forename: R E
authors.initials: RE
authors.lastname: Clavijo
authors.forename: M M
authors.initials: MM
authors.lastname: Campos-Vallette
authors.forename: R F
authors.initials: RF
authors.lastname: Aroca
mesh_terms: D000393:Air Pollutants / Q000032:analysis / Q000737:chemistry; D000465:Algorithms; D008832:Microchemistry / Q000379:methods*; D009153:Mutagens / Q000032:analysis / Q000737:chemistry; D011721:Pyrenes / Q000032:analysis* / Q000737:chemistry*; D015203:Reproducibility of Results; D012680:Sensitivity and Specificity; D017550:Spectroscopy, Fourier Transform Infrared / Q000379:methods*; D013059:Spectrum Analysis, Raman / Q000379:methods*; D014732:Vibration
chemical_list: D000393:Air Pollutants; D009153:Mutagens; D011721:Pyrenes; C032668:1-nitropyrene