Substitution effects on the absorption spectra of nitrophenolate isomers

Physical Chemistry Chemical Physics

Volumn 14, Issue 37, 2012, Pages 12905-12911

  Wanko, Marius ^a   Houmoller, Jorgen ^b   Stochkel, Kristian ^b   Suhr Kirketerp, Maj Britt ^b   Petersen, Michael Åxman ^c   Nielsen, Mogens Brondsted ^c   Nielsen, Steen Brondsted ^b   Rubio, Angel ^a  

^a DONOSTIA INTERNATIONAL PHYSICS CENTER DIPC   (Spain)

^b AARHUS UNIVERSITY   (Denmark)

^c UNIVERSITY OF COPENHAGEN   (Denmark)

Author keywords

[No Author keywords available]

Indexed keywords

HYDROXYBENZOIC ACID DERIVATIVE; PHENOLIC ACID; SOLVENT;

ARTICLE; CHEMICAL MODEL; CHEMISTRY; GAS; ISOMERISM; QUANTUM THEORY; SPECTROPHOTOMETRY;

GASES; HYDROXYBENZOATES; ISOMERISM; MODELS, CHEMICAL; QUANTUM THEORY; SOLVENTS; SPECTROPHOTOMETRY;

EID: 84865747465     PISSN: 14639076     EISSN: None     Source Type: Journal    
DOI: 10.1039/c2cp41636k     Document Type: Article

References (24)

1. M. J. Frisch, et al., Gaussian 03, Revision B.04, Gaussian, Inc., Pittsburgh PA, 2003
2. M.-B. Suhr Kirketerp M. Åxman Petersen M. Wanko L. A. Espinosa Leal H. Zettergren F. M. Raymo A. Rubio M. Brondsted Nielsen S. Brondsted Nielsen ChemPhysChem 2009 10 1207 1209
3. R. E. Martin F. Diederich Angew. Chem., Int. Ed. 1999 38 1350 1377
4. K. Müllen Pure Appl. Chem. 1993 65 89 96
5. M. Brondsted Nielsen F. Diederich Chem. Rev. 2005 105 1837 1867
6. J. M. Tour Chem. Rev. 1996 96 537 553
7. G. Wegner and K. Müllen, Electronic Materials: The Oligomer Approach, Wiley-VCH, Weinheim, 1998
8. J. U. Andersen P. Hvelplund S. Brondsted Nielsen S. Tomita H. Wahlgreen S. P. Moller U. V. Pedersen J. S. Forster T. J. D. Jorgensen Rev. Sci. Instrum. 2002 73 1284 1287
9. S. P. Moller Nucl. Instrum. Methods Phys. Res., Sect. A 1997 394 281 286
10. A. Schäfer H. Horn R. Ahlrichs J. Chem. Phys. 1992 97 2571 2577
11. F. Weigend M. Häser H. Patzelt R. Ahlrichs Chem. Phys. Lett. 1998 294 143 152
12. O. Christiansen H. Koch P. Jorgensen Chem. Phys. Lett. 1995 243 409 418
13. J. T. H. Dunning J. Chem. Phys. 1989 90 1007
14. TURBOMOLE V6.0 2009, a development of University of Karlsruhe and Forschungszentrum Karlsruhe GmbH, 1989-2007, TURBOMOLE GmbH, since 2007; available from http://www.turbomole.com
15. F. Neese J. Chem. Phys. 2003 119 9428 9443
16. F. Neese, ORCA - An Ab Initio, DFT and Semiempirical electronic structure package, Version 2.9, MPI for Bioinorganic Chemsitry, Mülheim/Ruhr, 2012
17. C. Adamo V. Barone J. Chem. Phys. 1999 110 6158 6170
18. E. A. Brinkman E. Gunther O. Schafer J. I. Brauman J. Chem. Phys. 1994 100 1840 1848
19. I. B. Nielsen S. Boye-Peronne M. O. A. E. Ghazaly M. B. Kristensen S. Brondsted Nielsen L. H. Andersen Biophys. J. 2005 89 2597 2604
20. I.-R. Lee W. Lee A. H. Zewail PNAS 2006 103 258 262
21. L. Munksgaard Nielsen S. Ovad Pedersen M.-B. Suhr Kirketerp S. Brondsted Nielsen J. Chem. Phys. 2012 136 064302
22. T. Rocha-Rinza O. Christiansen D. B. Rahbek B. Klaerke L. H. Andersen K. Lincke M. Brondsted Nielsen Chem.-Eur. J. 2010 16 11977 11984
23. M. W. Forbes R. A. Jockusch J. Am. Chem. Soc. 2009 131 17038 17039
24. A. E. Reed R. B. Weinstock F. Weinhold J. Chem. Phys. 1985 83 735 746