Formation of a supramolecular charge-transfer complex. Ultrafast excited state dynamics and quantum-chemical calculations

The formation of a supramolecular complex of bis(18-crown-6)stilbene ( 1 ) and 4,4′-bipyridine with two ammoniopropyl N -substituents ( 3 ) and the substitution reaction between 1·3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and fe...

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Published inPhotochemical & photobiological sciences Vol. 18; no. 1; pp. 232 - 241
Main Authors Volchkov, Valery V, Khimich, Mikhail N, Rusalov, Mikhail V, Gostev, Fedor E, Shelaev, Ivan V, Nadtochenko, Viktor A, Vedernikov, Artem I, Gromov, Sergey P, Freidzon, Alexandra Ya, Alfimov, Michael V, Melnikov, Mikhail Ya
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LanguageEnglish
Published Cham Springer International Publishing 01.01.2019
Royal Society of Chemistry
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Abstract The formation of a supramolecular complex of bis(18-crown-6)stilbene ( 1 ) and 4,4′-bipyridine with two ammoniopropyl N -substituents ( 3 ) and the substitution reaction between 1·3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and femtosecond transient absorption spectroscopy. The formation of 1 ·(M n + ) 2 complexes in acetonitrile was demonstrated. The weak long-wavelength charge-transfer absorption band of 1·3 completely vanishes upon complexation with metal cations because of disruption of the pseudocyclic structure. The spectroscopic and luminescence parameters, stability and substitution constants were calculated. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation and direct ( τ CT-d = 0.32 ps) and back ( τ CT-b = 0.51 ps) electron transfer resulting in complete fluorescence quenching. The quantum-chemistry calculations revealed the species taking part in the ET process and elucidated the mechanism of relaxation of the excited complex. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation, and direct and back electron transfer resulting in complete fluorescence quenching.
AbstractList The formation of a supramolecular complex of bis(18-crown-6)stilbene (1) and 4,4′-bipyridine with two ammoniopropyl N-substituents (3) and the substitution reaction between 1·3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and femtosecond transient absorption spectroscopy. The formation of 1·(Mn+)2 complexes in acetonitrile was demonstrated. The weak long-wavelength charge-transfer absorption band of 1·3 completely vanishes upon complexation with metal cations because of disruption of the pseudocyclic structure. The spectroscopic and luminescence parameters, stability and substitution constants were calculated. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation and direct (τCT-d = 0.32 ps) and back (τCT-b = 0.51 ps) electron transfer resulting in complete fluorescence quenching. The quantum-chemistry calculations revealed the species taking part in the ET process and elucidated the mechanism of relaxation of the excited complex.
The formation of a supramolecular complex of bis(18-crown-6)stilbene (1) and 4,4'-bipyridine with two ammoniopropyl N-substituents (3) and the substitution reaction between 1·3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and femtosecond transient absorption spectroscopy. The formation of 1·(Mn+)2 complexes in acetonitrile was demonstrated. The weak long-wavelength charge-transfer absorption band of 1·3 completely vanishes upon complexation with metal cations because of disruption of the pseudocyclic structure. The spectroscopic and luminescence parameters, stability and substitution constants were calculated. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation and direct (τCT-d = 0.32 ps) and back (τCT-b = 0.51 ps) electron transfer resulting in complete fluorescence quenching. The quantum-chemistry calculations revealed the species taking part in the ET process and elucidated the mechanism of relaxation of the excited complex.The formation of a supramolecular complex of bis(18-crown-6)stilbene (1) and 4,4'-bipyridine with two ammoniopropyl N-substituents (3) and the substitution reaction between 1·3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and femtosecond transient absorption spectroscopy. The formation of 1·(Mn+)2 complexes in acetonitrile was demonstrated. The weak long-wavelength charge-transfer absorption band of 1·3 completely vanishes upon complexation with metal cations because of disruption of the pseudocyclic structure. The spectroscopic and luminescence parameters, stability and substitution constants were calculated. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation and direct (τCT-d = 0.32 ps) and back (τCT-b = 0.51 ps) electron transfer resulting in complete fluorescence quenching. The quantum-chemistry calculations revealed the species taking part in the ET process and elucidated the mechanism of relaxation of the excited complex.
The formation of a supramolecular complex of bis(18-crown-6)stilbene (1) and 4,4'-bipyridine with two ammoniopropyl N-substituents (3) and the substitution reaction between 1·3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and femtosecond transient absorption spectroscopy. The formation of 1·(M ) complexes in acetonitrile was demonstrated. The weak long-wavelength charge-transfer absorption band of 1·3 completely vanishes upon complexation with metal cations because of disruption of the pseudocyclic structure. The spectroscopic and luminescence parameters, stability and substitution constants were calculated. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation and direct (τ = 0.32 ps) and back (τ = 0.51 ps) electron transfer resulting in complete fluorescence quenching. The quantum-chemistry calculations revealed the species taking part in the ET process and elucidated the mechanism of relaxation of the excited complex.
The formation of a supramolecular complex of bis(18-crown-6)stilbene ( 1 ) and 4,4′-bipyridine with two ammoniopropyl N -substituents ( 3 ) and the substitution reaction between 1·3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and femtosecond transient absorption spectroscopy. The formation of 1 ·(M n + ) 2 complexes in acetonitrile was demonstrated. The weak long-wavelength charge-transfer absorption band of 1·3 completely vanishes upon complexation with metal cations because of disruption of the pseudocyclic structure. The spectroscopic and luminescence parameters, stability and substitution constants were calculated. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation and direct ( τ CT-d = 0.32 ps) and back ( τ CT-b = 0.51 ps) electron transfer resulting in complete fluorescence quenching. The quantum-chemistry calculations revealed the species taking part in the ET process and elucidated the mechanism of relaxation of the excited complex. The relaxation scheme of the 1·3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation, and direct and back electron transfer resulting in complete fluorescence quenching.
The formation of a supramolecular complex of bis(18-crown-6)stilbene ( 1 ) and 4,4'-bipyridine with two ammoniopropyl N -substituents ( 3 ) and the substitution reaction between 1•3 and alkali and alkaline-earth metal perchlorates have been studied using absorption, steady-state fluorescence, and femtosecond transient absorption spectroscopy. The formation of 1 •(M n + ) 2 complexes in acetonitrile was demonstrated. The weak long-wavelength charge-transfer absorption band of 1•3 completely vanishes upon complexation with metal cations because of disruption of the pseudocyclic structure. The spectroscopic and luminescence parameters, stability and substitution constants were calculated. The relaxation scheme of the 1-3 singlet state excited by a 25 fs laser pulse was proposed. It includes very fast vibrational relaxation and direct (τ CT-d = 0.32 ps) and back (τ CT-b = 0.51 ps) electron transfer resulting in complete fluorescence quenching. The quantum-chemistry calculations revealed the species taking part in the ET process and elucidated the mechanism of relaxation of the excited complex.
Author Melnikov, Mikhail Ya
Freidzon, Alexandra Ya
Volchkov, Valery V
Vedernikov, Artem I
Alfimov, Michael V
Gromov, Sergey P
Rusalov, Mikhail V
Shelaev, Ivan V
Khimich, Mikhail N
Gostev, Fedor E
Nadtochenko, Viktor A
AuthorAffiliation Chemistry Department
M. V. Lomonosov Moscow State University
N. N. Semenov Institute of Chemical Physics
FSRC "Crystallography and Photonics"
Russian Academy of Sciences
National Research Nuclear University MEPhI (Moscow Engineering Physics Institute)
Photochemistry Center
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Snippet The formation of a supramolecular complex of bis(18-crown-6)stilbene ( 1 ) and 4,4′-bipyridine with two ammoniopropyl N -substituents ( 3 ) and the...
The formation of a supramolecular complex of bis(18-crown-6)stilbene ( 1 ) and 4,4'-bipyridine with two ammoniopropyl N -substituents ( 3 ) and the...
The formation of a supramolecular complex of bis(18-crown-6)stilbene (1) and 4,4'-bipyridine with two ammoniopropyl N-substituents (3) and the substitution...
The formation of a supramolecular complex of bis(18-crown-6)stilbene (1) and 4,4′-bipyridine with two ammoniopropyl N-substituents (3) and the substitution...
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SubjectTerms Absorption spectra
Absorption spectroscopy
Acetonitrile
Alkali metals
Alkaline earth metals
Biochemistry
Biomaterials
Cations
Charge transfer
Chemistry
Disruption
Electron transfer
Femtosecond pulses
Fluorescence
Mathematical analysis
Metal ions
Organic chemistry
Perchlorates
Physical Chemistry
Plant Sciences
Quantum chemistry
Stilbene
Substitution reactions
Title Formation of a supramolecular charge-transfer complex. Ultrafast excited state dynamics and quantum-chemical calculations
URI https://link.springer.com/article/10.1039/c8pp00328a
https://www.ncbi.nlm.nih.gov/pubmed/30462131
https://www.proquest.com/docview/2166983254
https://www.proquest.com/docview/2136555016
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