Absorption Spectra of 4-Nitrophenolate Ions Measuredin Vacuoand in Solution
| Autor: | Henning Zettergren, Mogens Brøndsted Nielsen, Maj Britt Suhr Kirketerp, Steen Brøndsted Nielsen, Marius Wanko, Angel Rubio, Leonardo Andres Espinosa Leal, Françisco M. Raymo, Michael Åxman Petersen |
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| Rok vydání: | 2009 |
| Předmět: |
Vacuum
European community 010405 organic chemistry Chemistry Stereochemistry Spectrum Analysis Gas-phase spectroscopy 010402 general chemistry 01 natural sciences Charge-transfer Nitrophenolates Atomic and Molecular Physics and Optics 0104 chemical sciences Gas phase Nitrophenols Solutions Density functional calculations Solvent effects Hydroxybenzoates Gases Physical and Theoretical Chemistry Humanities |
| Zdroj: | Digital.CSIC. Repositorio Institucional del CSIC instname Kirketerp, M-B S, Petersen, M Å, Wanko, M, Leal, L A E, Zettergren, H, Raymo, F, Rubio, A, Nielsen, M B & Nielsen, S B 2009, ' Absorption Spectra of 4-Nitrophenolate Ions Measured in Vacuo and in Solution ', ChemPhysChem, vol. 10, no. 8, pp. 1207-1209 . https://doi.org/10.1002/cphc.200900174 |
| ISSN: | 1439-7641 1439-4235 |
| DOI: | 10.1002/cphc.200900174 |
| Popis: | From blue to red: While four π-conjugated nitrophenolates absorb within a relatively narrow region in solution, they cover the entire visible spectrum when isolated in vacuo (see picture). The work combines gas- and solution-phase spectroscopy and provides the first benchmark of theoretical excitation energies for nitrophenolates. The AU and KU groups acknowledge support from Lundbeckfonden, Dir. Ib Henriksens Fond, Carlsbergfondet, FNU, and VKR, the San Sebastian group the Spanish MEC (FIS2007-65702-C02-01), “Grupos Consolidados UPV/EHU del Gobierno Vasco” (IT-319-07), CSIC, the European Community through e-I3 ETSF project (Contract Contract Number 211956), DNA-NANODEVICES (IST-2006-029192) and NANO-ERA CHEMISTRY, and the Barcelona Supercomputing Center, “Red Espanola de Supercomputacion” and SGIker ARINA (UPV/EHU). F.M.R. thanks the National Science Foundation (CAREER Award CHE-0237578 and CHE-0749840) and UM for financial support. |
| Databáze: | OpenAIRE |
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