Výsledky vyhledávání - "F W, Langkilde"

Radical Cation of N,N-Dimethylpiperazine: Dramatic Structural Effects of Orbital Interactions through Bonds

Autor: F. W. Langkilde, Albert M. Brouwer, Christian Svendsen, R. Wilbrandt, Jurriaan M. Zwier, O.S. Mortensen

Publikováno v: Journal of the American Chemical Society, 120(15), 3748-3757. American Chemical Society

The radical cation of N,N-dimethylpiperazine (DMP) has been studied using time-resolved optical absorption and resonance Raman spectroscopy. Different quantum-chemical methods were used to calculate the molecular structures and vibrational force fiel

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::a980a1560cffded4fdd323fd75b3610a
https://doi.org/10.1021/ja9735721

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ChemInform Abstract: Lowest Excited Triplet State of 2,5-Dimethyl-1,3,5-hexatriene: Resonance Raman Spectra and Quantum Chemical Calculations

Autor: F. W. Langkilde, Fabrizia Negri, Robert Wilbrandt, Soeren Moeller, Giorgio Orlandi, Albert M. Brouwer

Publikováno v: ChemInform. 22

Theoretical and Raman spectroscopic studies are presented for the ground and lowest excited triplet states of (E)- and (Z)-3,5-dimethyl-1,3,5-hexatriene and their 3,4-dideuterio and 3-deuterio isotopomers. The T1 potential energy surface is calculate

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::aae42dfdbcefe5cf2449d67a0d91c3aa
https://doi.org/10.1002/chin.199149041

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ChemInform Abstract: Resonance Raman and Absorption Spectroscopy of 2- and 3-Methyl-1,3,5- hexatriene in the T1 State. Steric Control of Excited-State Molecular Structure

Autor: Robert Wilbrandt, F. W. Langkilde, Fabrizia Negri, H. J. C. Jacobs, Albert M. Brouwer, Giorgio Orlandi

Publikováno v: ChemInform. 23

Resonance Raman (RR) spectra of (E)-2-methyl-1,3,5-hexatriene [(E)-2-MHT], (E)-4-deuterio-2-methyl-1,3,5-hexatriene, (Z)-2-methyl-1,3,5-hexatriene [(Z)-2-MHT], (E)-3-methyl-1,3,5-hexatriene [(E)-3-MHT], and (Z)-3-methyl-1,3,5-hexatriene [(Z)-3-MHT] i

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_________::03ed5b01906896b0110a8448a6771f55
https://doi.org/10.1002/chin.199218040

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Resonance Raman and absorption spectroscopy of the lowest triplet state of 1,3,5-hexatriene and deuteriated derivatives at 183 K : molecular structure in the T1 state

Autor: Albert M. Brouwer, Soeren Moeller, F. W. Langkilde, Fabrizia Negri, Giorgio Orlandi, Robert Wilbrandt

Publikováno v: Journal of Physical Chemistry, 95, 6884-6894. American Chemical Society

Time-resolved resonance Raman (RR) spectra of the lowest excited triplet state T1 of (E)-1,3,5-hexatriene, (E)-3-deuterio-1,3,5-hexatriene, and (E)-1,1-dideuterio-1,3,5-hexatriene are obtained at 183 K. The T1 potential energy surface (PES), determin

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::6bc9c7f7daa67d9106b4cddeb6bc408c
https://hdl.handle.net/11245/1.424357

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Improved force field of (E)-1,3,5-hexatriene based on deuteriated derivatives

Autor: F. W. Langkilde, Robert Wilbrandt, Albert M. Brouwer

Publikováno v: Journal of Physical Chemistry, 94(12), 4809-4819. American Chemical Society

Raman and IR spectra of ground-state (E)-1,3,5-hexatriene-3,4-d2 (d34EHT), (E)-1,3,5-hexatriene-3-d (d3EHT), (E)-1,3,5-hexatriene-1,1-d2 (d11EHT), and (E)-1,3,5-hexatriene-2,5-d2 (d25EHT) are reported. Together with previously published spectra of (E

Externí odkaz: https://explore.openaire.eu/search/publication?articleId=doi_dedup___::fafc7396544b1a382aa9ea36a19a7762
https://hdl.handle.net/11245/1.424158

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