Reaction path dependent coherent wavepacket dynamics in excited state intramolecular double proton transfer

Stock, Kai; Schriever, Christian; Lochbrunner, Stefan; Riedle, Eberhard

doi:10.1016/j.chemphys.2008.03.007

Cited by 31 publications

(43 citation statements)

References 40 publications

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“…32 These oscillations stem from coherently excited vibrational wavepackets on the excited‐state potential energy surface. Contributions to the wavepacket from ground‐state coherences can be excluded by an appropriate selection of the probe wavelength, which is chosen to fall in the spectral region of pure SE 33. A Fourier transformation analysis of these oscillations yields the vibrational modes representative of the excited‐state structure 34…”

Section: Resultsmentioning

confidence: 99%

Spectroscopic Investigation of the Ultrafast Photoinduced Dynamics in π‐Conjugated Terpyridines

et al. 2009

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Ultrafast light-induced processes in a series of pi-conjugated mono-, bis-, tris- and tetrakis(terpyridine) derivatives are investigated by femtosecond time-resolved spectroscopy. Non-exponential excited-state dynamics involving singlet-triplet intersystem crossing are observed which span from picoseconds to nanoseconds (see figure). Time-resolved spectroscopy is applied to investigate the ultrafast relaxation dynamics of several pi-conjugated mono-, bis-, tris- and tetrakis(terpyridine) derivatives. This particular series of structurally closely related systems was prepared applying efficient synthetic strategies and resembles key building blocks for a wide range of photoactive complexes, dendrimers and metallo-polymers with resulting potential applications, for example, in photovoltaics or as organic light-emitting diodes. Aiming for applications of supramolecular assemblies based on these recently presented terpyridine ligands a detailed knowledge of the light-induced processes of the ligands themselves represents a prerequisite. By applying femtosecond time-resolved absorption spectroscopy in concert with time-resolved fluorescence and Raman measurements, we detail the photophysical properties.

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Section: Resultsmentioning

confidence: 99%

Spectroscopic Investigation of the Ultrafast Photoinduced Dynamics in π‐Conjugated Terpyridines

et al. 2009

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“…This shift is equal to about 15 cm −1 /18 cm −1 and is due to changes in stacking caused by higher annealing temperature. An example of electronic excitation and vibrational modes joined action was reported in the case of intramolecular excited state proton transfer reaction [46]. The tautomerization mechanism of [2,2-bipyridine]-3,3 -diol was explained in [46] in terms of wavepacket evolution triggered by electronic excitation.…”

Section: Discussionmentioning

confidence: 99%

Structure of Carbonic Layer in Ohmic Contacts: Comparison of Silicon Carbide/Carbon and Carbon/Silicide Interfaces

Borowicz

Kuchuk

Adamus

et al. 2013

ISRN Physical Chemistry

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The structure of carbonic layer in three samples composed of 4H polytype of silicon carbide and the following sequence of layers: carbon/nickel/silicon/nickel/silicon was investigated with Raman spectroscopy. Different thermal treatment of the samples led to differences in the structure of carbonic layer. Raman measurements were performed with visible excitation focused on two interfaces: silicon carbide/carbon and carbon/silicide. The results showed differences in the structure across carbon film although its thickness corresponds to 8/10 graphene layers.

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“…The implications of the results, however, are quite general and apply to other systems, in particular those containing hydrogen‐bonded oxygen. The role of low frequency skeletal modes, which modulate the OH···N or OH···O hydrogen bond strength and thus contribute to the tautomerization path, has been discussed for several molecules: methyl salicylate, 61 2‐(2′‐hydroxyphenyl)benzoxazole (HBO), 62 2‐(2′‐hydroxy‐5′‐methylphenyl)benzotriazole, 63 2‐(2′‐hydroxyphenyl)benzothiazole (HBT), 64,65 2,5‐bis(2′‐benzoxazolyl)hydroquinone, 66 1,8‐dihydroxyanthraquinone, 67 o ‐hydroxybenzaaldehyde, 68 2,2′‐bipyridyl‐3,3′‐diol 69 . Regarding conformational changes related to proton transfer, recent combined experimental and theoretical studies of HBT 70 have demonstrated the presence of S 0 /S 1 conical intersection, responsible for ultrafast internal conversion.…”

Section: Discussionmentioning

confidence: 99%

Tautomerization in Condensed Phases and in Isolated Molecules

Waluk

2009

Israel Journal of Chemistry

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We review our recent investigations of systems revealing single or double proton (hydrogen) transfer in the ground or electronically-excited states. The results obtained for condensed phases are compared with the data provided by experiments carried out in the regime of molecular isolation, mainly by using supersonic jet spectroscopy techniques.Both intra-and intermolecular processes have been studied. Four different bifunctional chromophores are discussed, all sharing a common feature of possessing a proton-donating NH group and an acceptor nitrogen atom incorporated into a pyridine or pyrrolene ring.Porphycene and derivatives reveal, when isolated, coherent double hydrogen transfer manifested by vibration-specific tunneling splittings. In condensed phases, tautomerization occurs as a rate process; its dynamics can be probed by techniques using polarized light. Huge dependence of the tautomerization rate on the strength of intramolecular hydrogen bonds has been detected.2-(2¢-pyridyl)pyrrole provides a rare example of a molecule which undergoes both intramolecular excited-state single proton transfer and a solvent-assisted excited-state double proton transfer reaction. Supersonic jet studies allowed us to identify the vibrational modes that enhance the tautomerization.Photoinduced intramolecular proton transfer in 7-(2¢-pyridyl)indole is accompanied by twisting of the proton donor and acceptor subunits. The reaction occurs faster in the supersonic beam than in room temperature solutions.1H-pyrrolo[3,2-h]quinoline forms 1:1 and 1:2 complexes with alcohols and water. The stoichiometries and vibrational structure could be determined for jet-isolated complexes. The 1:1 cyclic, doubly hydrogen-bonded species reveal rapid photoinduced tautomerization both in condensed phases and when isolated in supersonic beams.

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Reaction path dependent coherent wavepacket dynamics in excited state intramolecular double proton transfer

Cited by 31 publications

References 40 publications

Spectroscopic Investigation of the Ultrafast Photoinduced Dynamics in π‐Conjugated Terpyridines

Spectroscopic Investigation of the Ultrafast Photoinduced Dynamics in π‐Conjugated Terpyridines

Structure of Carbonic Layer in Ohmic Contacts: Comparison of Silicon Carbide/Carbon and Carbon/Silicide Interfaces

Tautomerization in Condensed Phases and in Isolated Molecules

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