Zobrazeno 1 - 10
of 93
pro vyhledávání: '"S. Schumm"'
Publikováno v:
Journal of Molecular Structure. 610:1-16
In this paper we report on the structure and vibrations of gaseous pyrogallol (1,2,3-trihydroxybenzene) in the electronic ground state (S0) and its first electronically excited state (S1). Both ab initio CASSCF/CASMP2 calculations as well as R2PI spe
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::3e65e27d54a0936a41f89b8d36f147f6
https://doi.org/10.1016/s0022-2860(01)00786-4
https://doi.org/10.1016/s0022-2860(01)00786-4
Autor:
and C. Moucheron, David García-Fresnadillo, S. Schumm, M. Prévost, † A. Kirsch-De Mesmaeker, Olivier Lentzen
Publikováno v:
The Journal of Physical Chemistry B. 106:2763-2768
The luminescence quenching by electron transfer of a nonintercalating [Ru(TAP)2DIP]2+ complex, which is covalently linked to different guanine containing oligonucleotide duplexes, is compared to the sequence dependent ionization potentials of guanine
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::58df30787051761acea4f7432fcf7dfe
https://doi.org/10.1021/jp013185k
https://doi.org/10.1021/jp013185k
Publikováno v:
The Journal of Physical Chemistry A. 104:10648-10655
In this paper, a Franck−Condon simulation of the S1 → S0 transition of phenol is given including all normal modes. The geometries of phenol in its S0 and S1 states are obtained from CASSCF calculations. The calculated scaled harmonic frequencies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::fec7782ed6e3596f054dd51f0e96a5bf
https://doi.org/10.1021/jp000187g
https://doi.org/10.1021/jp000187g
Publikováno v:
The Journal of Chemical Physics. 111:7966-7975
In this paper structures of resorcinol (1,3-dihydroxybenzene) and hydroquinone (1,4-dihydroxybenzene) cations are presented. The adiabatic ionization potentials of the dihydroxybenzenes and the vibrations of the ionic ground state of the dihydroxyben
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::cf52925a923e2db2c9d44825d633c149
https://doi.org/10.1063/1.480166
https://doi.org/10.1063/1.480166
Publikováno v:
Chemical Physics Letters. 294:65-70
To determine structure and vibrations of catechol and d2-catechol (C 6 H 4 (OD) 2 ) in the ionic ground state, MATI spectra as well as ab initio and DFT calculations are presented. The comparison of the experimentally observed vibrational frequencies
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::5cd3a68b4ab22b98886e8deafc1f49b5
https://doi.org/10.1016/s0009-2614(98)00823-9
https://doi.org/10.1016/s0009-2614(98)00823-9
Publikováno v:
The Journal of Organic Chemistry. 62:1388-1410
The syntheses of soluble oligo(2-alkyl-1,4-phenylene ethynylene)s via an iterative divergent/convergent approach starting from 1-(diethyltriazyl)-3-alkyl-4-[(trimethylsilyl)ethynyl]benzenes are described. When the solublizing alkyl group is an ethyl
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::92860da9e33c3004e2a823e69c2c7eb4
https://doi.org/10.1021/jo962336q
https://doi.org/10.1021/jo962336q
Publikováno v:
The Journal of Chemical Physics. 106:878-884
The structure as well as the inter- and intramolecular vibrations of the catechol (methanol)1 cluster are investigated both experimentally and theoretically. By using resonant two-photon ionization (R2PI) and dispersed fluorescence (DF) spectroscopy,
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b7a4338b28e3827b9684440a6981fe09
https://doi.org/10.1063/1.473168
https://doi.org/10.1063/1.473168
Publikováno v:
Synthetic Metals. 84:303-306
The syntheses of conjugated molecules that are over 100 A long are presented. They are based on oligo(thiophene-ethynylene)s and oligo(phenylene-ethynylene)s. A method for attachment of molecular-sized alligator clips is presented. These serve as bon
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::16f5e530002c640ba7343a0ee78c7324
https://doi.org/10.1016/s0379-6779(97)80760-6
https://doi.org/10.1016/s0379-6779(97)80760-6
Publikováno v:
Chemical Physics Letters. 263:126-132
Different basis sets and active spaces have been employed to determine the geometries and vibrational frequencies of phenol in its electronic ground and first excited state at the CASSCF level of theory. Good agreement with experimentally determined
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::b0b44b3285cc17e6221d8deaa372ff75
https://doi.org/10.1016/s0009-2614(96)01172-4
https://doi.org/10.1016/s0009-2614(96)01172-4
Publikováno v:
The Journal of Chemical Physics. 104:9362-9375
The inter‐ and intramolecular vibrations in the S0 and S1 state of catechol, d2‐catechol, catechol(H2O)1, and d2‐catechol (D2O)1 have been investigated experimentally by resonant two photon ionization (R2PI), spectral hole burning (SHB), and di
Externí odkaz:
https://explore.openaire.eu/search/publication?articleId=doi_________::a1843ad2be21e8041c78dcefa38b46ca
https://doi.org/10.1063/1.471682
https://doi.org/10.1063/1.471682