Literature DB >> 17372209

Charged polycyclic aromatic hydrocarbon clusters and the galactic extended red emission.

Young Min Rhee1, Timothy J Lee, Murthy S Gudipati, Louis J Allamandola, Martin Head-Gordon.   

Abstract

The species responsible for the broad extended red emission (ERE), discovered in 1975 and now known to be widespread throughout the Galaxy, still is unidentified. Spanning the range from approximately 540 to 900 nm, the ERE is a photoluminescent process associated with a wide variety of different interstellar environments. Over the years, a number of plausible candidates have been suggested, but subsequent observations ruled them out. The objects that present the ERE also emit the infrared features attributed to free polycyclic aromatic hydrocarbon (PAH) molecules, suggesting that closely related materials are plausible ERE carriers. Here, we show that the peculiar spectra and unique properties of closed-shell cationic PAH dimers satisfy the existing observational constraints and suggest that emission from mixtures of charged PAH clusters accounts for much of the ERE. This work provides a view into the structures, stabilities, abundances, and ionization balance of PAH-related species in the emission zones, which, in turn, reflects physical conditions in the emission zones and sheds fundamental light on the nanoscale processes involved in carbon-particle nucleation and growth and carbonaceous dust evolution in the interstellar medium.

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Year:  2007        PMID: 17372209      PMCID: PMC1838469          DOI: 10.1073/pnas.0609396104

Source DB:  PubMed          Journal:  Proc Natl Acad Sci U S A        ISSN: 0027-8424            Impact factor:   11.205


  7 in total

1.  Enforced face-to-face stacking of organic semiconductor building blocks within hydrogen-bonded molecular cocrystals.

Authors:  Anatoliy N Sokolov; Tomislav Friscić; Leonard R MacGillivray
Journal:  J Am Chem Soc       Date:  2006-03-08       Impact factor: 15.419

Review 2.  Advances in methods and algorithms in a modern quantum chemistry program package.

Authors:  Yihan Shao; Laszlo Fusti Molnar; Yousung Jung; Jörg Kussmann; Christian Ochsenfeld; Shawn T Brown; Andrew T B Gilbert; Lyudmila V Slipchenko; Sergey V Levchenko; Darragh P O'Neill; Robert A DiStasio; Rohini C Lochan; Tao Wang; Gregory J O Beran; Nicholas A Besley; John M Herbert; Ching Yeh Lin; Troy Van Voorhis; Siu Hung Chien; Alex Sodt; Ryan P Steele; Vitaly A Rassolov; Paul E Maslen; Prakashan P Korambath; Ross D Adamson; Brian Austin; Jon Baker; Edward F C Byrd; Holger Dachsel; Robert J Doerksen; Andreas Dreuw; Barry D Dunietz; Anthony D Dutoi; Thomas R Furlani; Steven R Gwaltney; Andreas Heyden; So Hirata; Chao-Ping Hsu; Gary Kedziora; Rustam Z Khalliulin; Phil Klunzinger; Aaron M Lee; Michael S Lee; Wanzhen Liang; Itay Lotan; Nikhil Nair; Baron Peters; Emil I Proynov; Piotr A Pieniazek; Young Min Rhee; Jim Ritchie; Edina Rosta; C David Sherrill; Andrew C Simmonett; Joseph E Subotnik; H Lee Woodcock; Weimin Zhang; Alexis T Bell; Arup K Chakraborty; Daniel M Chipman; Frerich J Keil; Arieh Warshel; Warren J Hehre; Henry F Schaefer; Jing Kong; Anna I Krylov; Peter M W Gill; Martin Head-Gordon
Journal:  Phys Chem Chem Phys       Date:  2006-06-12       Impact factor: 3.676

3.  Stacked clusters of polycyclic aromatic hydrocarbon molecules.

Authors:  M Rapacioli; F Calvo; F Spiegelman; C Joblin; D J Wales
Journal:  J Phys Chem A       Date:  2005-03-24       Impact factor: 2.781

Review 4.  Interstellar polycyclic aromatic hydrocarbons: the infrared emission bands, the excitation/emission mechanism, and the astrophysical implications.

Authors:  L J Allamandola; A G Tielens; J R Barker
Journal:  Astrophys J Suppl Ser       Date:  1989-12       Impact factor: 8.136

5.  Intermolecular pi-to-pi bonding between stacked aromatic dyads. Experimental and theoretical binding energies and near-IR optical transitions for phenalenyl radical/radical versus radical/cation dimerizations.

Authors:  David Small; Vladimir Zaitsev; Yousung Jung; Sergiy V Rosokha; Martin Head-Gordon; Jay K Kochi
Journal:  J Am Chem Soc       Date:  2004-10-27       Impact factor: 15.419

6.  Closed-shell polycyclic aromatic hydrocarbon cations: a new category of interstellar polycyclic aromatic hydrocarbons.

Authors:  D M Hudgins; C W Bauschlicher; L J Allamandola
Journal:  Spectrochim Acta A Mol Biomol Spectrosc       Date:  2001-03-15       Impact factor: 4.098

7.  Failure of time-dependent density functional theory for long-range charge-transfer excited states: the zincbacteriochlorin-bacteriochlorin and bacteriochlorophyll-spheroidene complexes.

Authors:  Andreas Dreuw; Martin Head-Gordon
Journal:  J Am Chem Soc       Date:  2004-03-31       Impact factor: 15.419

  7 in total
  6 in total

1.  Ab initio dynamics and photoionization mass spectrometry reveal ion-molecule pathways from ionized acetylene clusters to benzene cation.

Authors:  Tamar Stein; Biswajit Bandyopadhyay; Tyler P Troy; Yigang Fang; Oleg Kostko; Musahid Ahmed; Martin Head-Gordon
Journal:  Proc Natl Acad Sci U S A       Date:  2017-05-08       Impact factor: 11.205

2.  Low temperature formation of naphthalene and its role in the synthesis of PAHs (polycyclic aromatic hydrocarbons) in the interstellar medium.

Authors:  Dorian S N Parker; Fangtong Zhang; Y Seol Kim; Ralf I Kaiser; Alexander Landera; Vadim V Kislov; Alexander M Mebel; A G G M Tielens
Journal:  Proc Natl Acad Sci U S A       Date:  2011-12-22       Impact factor: 11.205

3.  Structures and Energetics of Neutral and Cationic Pyrene Clusters.

Authors:  Léo Dontot; Fernand Spiegelman; Mathias Rapacioli
Journal:  J Phys Chem A       Date:  2019-10-29       Impact factor: 2.781

4.  Thermal evaporation of pyrene clusters.

Authors:  Sébastien Zamith; Ming-Chao Ji; Jean-Marc L'Hermite; Christine Joblin; Léo Dontot; Mathias Rapacioli; Fernand Spiegelman
Journal:  J Chem Phys       Date:  2019-11-21       Impact factor: 3.488

5.  Hydrogen-adduction to open-shell graphene fragments: spectroscopy, thermochemistry and astrochemistry.

Authors:  Gerard D O'Connor; Bun Chan; Julian A Sanelli; Katie M Cergol; Viktoras Dryza; Richard J Payne; Evan J Bieske; Leo Radom; Timothy W Schmidt
Journal:  Chem Sci       Date:  2016-09-26       Impact factor: 9.825

6.  Continuum Modelling for Interacting Coronene Molecules with a Carbon Nanotube.

Authors:  Kyle Stevens; Thien Tran-Duc; Ngamta Thamwattana; James M Hill
Journal:  Nanomaterials (Basel)       Date:  2020-01-15       Impact factor: 5.076

  6 in total

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