Characterization by time-resolved UV-Vis and infrared absorption spectroscopy of an intramolecular charge-transfer state in an organic electron-donor–bridge–acceptor system

Photochemical and Photobiological Sciences

Volumn 3, Issue 3, 2004, Pages 246-251

  Hviid, Lene ^a   Verhoeven, Jan W ^a   Brouwer, Albert M ^a   Paddon Row, Michael N ^b   Yang, Jixin ^c  

^a UNIVERSITY OF AMSTERDAM   (Netherlands)

^b UNIVERSITY OF NEW SOUTH WALES   (Australia)

^c UNIVERSITY OF NOTTINGHAM   (United Kingdom)

Author keywords

[No Author keywords available]

Indexed keywords

AB INITIO CALCULATION; ARTICLE; CHEMICAL STRUCTURE; CHROMATOPHORE; CONTROLLED STUDY; ELECTRON TRANSPORT; INFRARED SPECTROSCOPY; ION PAIR EXTRACTION; PRIORITY JOURNAL; QUANTUM YIELD; ULTRAVIOLET RADIATION; VIBRATION;

EID: 3042589353     PISSN: 1474905X     EISSN: 14749092     Source Type: Journal    
DOI: 10.1039/b313226a     Document Type: Article

References (22)

1. M. Towrie D. C. Grills J. Dyer J. A. Weinstein P. Matousek R. Barton P. D. Bailey N. Subramaniam W. M. Kwok C. S. Ma D. Phillips A. W. Parker M. W. George Development of a broadband picosecond infrared spectrometer and its incorporation into an existing ultrafast time-resolved resonance Raman, UV/visible, and fluorescence spectroscopic apparatus Appl. Spectrosc. 2003 57 367-380.
2. H. Okamoto M. Kinoshita Picosecond Infrared Spectrum of 4-(Pyrrol-1-yl)benzonitrile: Structure of the Excited Charge-Transfer States of Donor–Acceptor Systems J. Phys. Chem. A 2002 106 3485-3490.
3. W. M. Kwok M. W. George D. C. Grills C. S. Ma P. Matousek A. W. Parker D. Phillips W. T. Toner M. Towrie Direct observation of a hydrogen-bonded charge-transfer state of 4-dimethylaminobenzonitrile in methanol by time-resolved IR spectroscopy Angew. Chem., Int. Ed. 2003 42 1826-1830.
4. J. P. Toscano, Structure and Reactivity of Organic Intermediates as Revealed by Time-Resolved Infrared Spectroscopy, Adv. Photochem., 2001, 26, ed. D. C. Neckers, G. v. Bünau and W. S. Jenks, Wiley, New York, pp. 41–91.
5. E. Kauffmann H. Frei R. A. Mathies Nanosecond time-resolved step-scan FT-IR spectroscopy of the photochemical ring-opening of 1,3-cyclohexadiene Chem. Phys. Lett. 1997 266 554-559.
6. R. Rammelsberg B. Hessling H. Chorongiewski K. Gerwert Molecular reaction mechanisms of proteins monitored by nanosecond Step-Scan FT-IR difference spectroscopy Appl. Spectrosc. 1997 51 558-562.
7. C. Rödig F. Siebert Errors and artifacts in time-resolved step-scan FT-IR spectroscopy Appl. Spectrosc. 1999 53 893-901.
8. X. Z. Sun S. M. Nikiforov J. X. Yang C. S. Colley M. W. George Nanosecond time-resolved step-scan FT-IR spectroscopy in conventional and Supercritical fluids using a four-window infrared cell Appl. Spectrosc. 2002 56 31-39.
9. L. Hviid A. M. Brouwer M. N. Paddon-Row J. W. Verhoeven Long-Lived Short-Distance Intramolecular Charge Separation via Intermolecular Triplet Sensitation ChemPhysChem 2001 4 232-235.
10. L. Hviid W. G. Bouwman M. N. Paddon-Row J. W. Verhoeven H. J. van Ramesdonk A. M. Brouwer Spin control of the lifetime of an intramolecular charge-transfer excited state Photochem. Photobiol. Sci. 2003 2 995-1001.
11. C. S. Colley D. C. Grills N. A. Besley S. Jockusch P. Matousek A. W. Parker M. Towrie N. J. Turro P. M. W. Gill M. W. George Probing the reactivity of photoinitiators for free radical polymerization: Time-resolved infrared spectroscopic study of benzoyl radicals J. Am. Chem. Soc. 2002 124 14952-14958.
12. M. N. Paddon-Row E. Cotsaris H. K. Patney The synthesis of rigid norbornylogs for the purpose of studying orbital interactions through bonds Tetrahedron 1986 42 1779-1788.
13. F. Hartl H. Luyten H. A. Nieuwenhuis G. C. Schoemaker Versatile Cryostated Optically Transparent Thin-Layer Electrochemical (OTTLE) Cell for Variable-Temperature UV-Vis/IR Spectroelectrochemical Studies Appl. Spectrosc. 1994 48 1522-1528.
14. H. Oevering, Electron and Energy Transfer via Saturated Hydrocarbon Bridges. PhD Thesis, University of Amsterdam, Amsterdam, 1988.
15. R. E. Stratmann G. E. Scuseria M. J. Frisch Efficient implementation of time-dependent density-functional theory for the calculation of excitation energies of large molecules J. Chem. Phys. 1998 109 8218-8224.
16. G. Ricciardi A. Rosa S. J. A. van Gisbergen E. J. Baerends A density functional study of the optical spectra and nonlinear optical properties of heteroleptic tetrapyrrole sandwich complexes: The porphyrinato-porphyrazinato-zirconium(IV) complex as a case study J. Phys. Chem. A 2000 104 635-643.
17. M. J. Frisch, G. W. Trucks, H. B. Schlegel, G. E. Scuseria, M. A. Robb, J. R. Cheeseman, V. G. Zakrzewski, J. A. Montgomery, Jr., R. E. Stratmann, J. C. Burant, S. Dapprich, J. M. Millam, A. D. Daniels, K. N. Kudin, M. C. Strain, O. Farkas, J. Tomasi, V. Barone, M. Cossi, R. Cammi, B. Mennucci, C. Pomelli, C. Adamo, S. Clifford, J. Ochterski, G. A. Petersson, P. Y. Ayala, Q. Cui, K. Morokuma, D. K. Malick, A. D. Rabuck, K. Raghavachari, J. B. Foresman, J. Cioslowski, J. V. Ortiz, B. B. Stefanov, G. Liu, A. Liashenko, P. Piskorz, I. Komaromi, R. Gomperts, R. L. Martin, D. J. Fox, T. Keith, M. A. Al-Laham, C. Y. Peng, A. Nanayakkara, C. Gonzalez, M. Challacombe, P. M. W. Gill, B. G. Johnson, W. Chen, M. W. Wong, J. L. Andres, M. Head-Gordon, E. S. Replogle and J. A. Pople, GAUSSIAN 98 (Revision A.7), Gaussian, Inc., Pittsburgh, PA, 1998.
18. A. D. Becke Density functional thermochemistry. 3. The role of exact exchange J. Chem. Phys. 1993 98 5648.
19. A. P. Scott L. Radom Harmonic vibrational frequencies: An evaluation of Hartree–Fock, Møller–Plesset, quadratic configuration interaction, density functional theory, and semiempirical scale factors J. Phys. Chem. 1996 100 16502.
20. A. M. Brouwer J. M. Zwier C. Svendsen O. S. Mortensen F. W. Langkilde R. Wilbrandt Radical cation of N, N-dimethylpiperazine: Dramatic Structural Effects of Orbital Interactions through Bonds J. Am. Chem. Soc. 1998 120 3748.
21. M. R. Roest, Electron Transfer via Hydrocarbon Bridges with and without an Intermediate π-system, PhD Thesis, University of Amsterdam, Amsterdam, 1996.
22. M. N. Paddon-Row M. J. Shephard A time-dependent density functional study of the singlet- triplet energy gap in charge-separated states of rigid bichromophoric molecules J. Phys. Chem. A 2002 106 2935-2944.