Effect of protonation on the electronic structure of aromatic molecules: naphthaleneH+.

Protonated naphthalene, the smallest protonated polycyclic aromatic hydrocarbon cation, absorbs in the visible, around 500 nm, which corresponds to an unusually large red shift with respect to the neutral naphthalene counterpart.

[1]  J. Oomens,et al.  INFRARED SPECTRA OF ISOLATED PROTONATED POLYCYCLIC AROMATIC HYDROCARBON MOLECULES , 2009 .

[2]  O. Dopfer,et al.  Protonated benzene: IR spectrum and structure of C(6)H(7)(+). , 2002, Angewandte Chemie.

[3]  Additivity of the Proton Affinity in Aromatics: Fluorinated Naphthalenes⊥ , 1997 .

[4]  C. Jouvet,et al.  Protonated benzene dimer: an experimental and ab initio study. , 2009, Journal of the American Chemical Society.

[5]  G. Olah,et al.  Stable carbocations. CXL. Naphthalenium ions , 1973 .

[6]  K. Homann,et al.  Large molecules, radicals, ions, and small soot particles in fuel-rich hydrocarbon flames: Part I: positive ions of polycyclic aromatic hydrocarbons(PAH) in low-pressure premixed flames of acetylene and oxygen , 1999 .

[7]  Alexander G. G. M. Tielens,et al.  Polycyclic aromatic hydrocarbons and the unidentified infrared emission bands - Auto exhaust along the Milky Way , 1985 .

[8]  E. L. Mackor,et al.  The absorption spectra of aromatic carbonium ions in HF solution , 1958 .

[9]  Y. Keheyan,et al.  The interstellar chemistry of PAH cations , 1998, Nature.

[10]  S. Schlemmer,et al.  The unidentified interstellar infrared bands: PAHs as carriers? , 1994, Science.

[11]  K. Kimura,et al.  Vibronic coupling in the ground cationic state of naphthalene: A laser threshold photoelectron [zero kinetic energy (ZEKE)‐photoelectron] spectroscopic study , 1993 .

[12]  O. Dopfer,et al.  Computational study on the photophysics of protonated benzene. , 2009, The journal of physical chemistry. A.

[13]  G. Olah.  My Search for Carbocations and Their Role in Chemistry (Nobel Lecture) , 1995 .

[14]  D. A. Garc'ia-Hern'andez,et al.  Evidence for the Naphthalene Cation in a Region of the Interstellar Medium with Anomalous Microwave Emission , 2008, 0809.0778.

[15]  A. Tielens,et al.  Laboratory Infrared Spectroscopy of Cationic Polycyclic Aromatic Hydrocarbon Molecules , 2003 .

[16]  C. Desfrançois,et al.  Ultrafast deactivation mechanisms of protonated aromatic amino acids following UV excitation. , 2005, Physical chemistry chemical physics : PCCP.

[17]  A. Pathak,et al.  TD-DFT calculations of electronic spectra of hydrogenated protonated polycyclic aromatic hydrocarbon (PAH) molecules: implications for the origin of the diffuse interstellar bands? , 2009, Physical chemistry chemical physics : PCCP.

[18]  M. Duncan,et al.  THE INFRARED SPECTRUM OF PROTONATED NAPHTHALENE AND ITS RELEVANCE FOR THE UNIDENTIFIED INFRARED BANDS , 2009 .

[19]  C. Jouvet,et al.  Electronically excited states of protonated aromatic molecules: benzaldehyde. , 2009, Physical chemistry chemical physics : PCCP.

[20]  F. L. Tye,et al.  403. The basicity of hydrocarbons. Part II. Ultra-violet absorption spectra of conjugated hydrocarbons in sulphuric acid solution , 1952 .

[21]  F. Désert,et al.  A survey of diffuse interstellar bands (3800-8680 A) , 1994 .

[22]  J. Lemaire,et al.  Infrared spectra of isolated protonated polycyclic aromatic hydrocarbons: protonated naphthalene. , 2007, Angewandte Chemie.

[23]  J. Oomens,et al.  Infrared spectra of protonated polycyclic aromatic hydrocarbon molecules: azulene. , 2009, The Journal of chemical physics.

[24]  C. Reid.  The Aromatic Carbonium Ions1 , 1954 .

[25]  E. P. Hunter,et al.  Evaluated Gas Phase Basicities and Proton Affinities of Molecules: An Update , 1998 .

[26]  Hans W. Horn,et al.  ELECTRONIC STRUCTURE CALCULATIONS ON WORKSTATION COMPUTERS: THE PROGRAM SYSTEM TURBOMOLE , 1989 .

[27]  A. Marshall,et al.  Photodissociation of Gas-Phase Polycylic Aromatic Hydrocarbon Cations , 1998 .

[28]  George H. Herbig,et al.  The Diffuse Interstellar Bands , 1995 .

[29]  B. Freiser,et al.  Photochemistry of organic ions in the gas phase. Comparison of the gas phase photodissociation and solution absorption spectra of benzoyl cation, protonated benzene, and protonated mesitylene , 1976 .