Elucidation of the intrinsic optical properties of hydrogen-bonded and protonated flavin chromophores by photodissociation action spectroscopy.
Elucidation of the intrinsic optical properties of hydrogen-bonded and protonated flavin chromophores by photodissociation action spectroscopy.
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通过光解作用光谱阐明氢键和质子化黄素发色团的固有光学性质。
DOI：
10.1039/c8cp05368e
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发表时间：
2018
期刊：
影响因子：
--
通讯作者：
M. Nielsen
中科院分区：
文献类型：
--
作者：
K. Lincke;J. Langeland;A. Ø. Madsen;H. V. Kiefer;L. Skov;E. Gruber;K. Mikkelsen;L. H. Andersen;M. Nielsen
合成了黄素生色团的模型体系，并利用离子储存环气相作用光谱研究了它的内禀光学性质。一个铵基团被锚定到这个黄素发色团，使其转移到气相通过电喷雾电离和研究氢键和附近的正电荷的影响。根据计算，铵基团的一个氢原子有利地与黄素发色团的一个氧原子形成分子内离子氢键，并且发现这种相互作用导致S0 → S1跃迁的蓝移和S0 → S2跃迁的红移。相比之下，S0 → S1转变几乎没有溶剂依赖性（仅与精细结构的程度有关）。此外，质子化的黄素生色团的影响阐明了一个简单的黄素系统的实验和理论研究。分子内氢键和质子化黄素体系的S0 → S1吸收位置在气相中相同，质子化黄素体系的S0 → S2吸收进一步红移。这种由质子化引起的红移在溶液中也能观察到。
A model system of the flavin chromophore was synthesized and investigated for its intrinsic optical properties by gas phase action spectroscopy using an ion storage ring. An ammonium group was anchored to this flavin chromophore to allow its transfer to the gas phase by electrospray ionization and for studying the influence of hydrogen bonding and a nearby positive charge. According to calculations one of the hydrogen atoms of the ammonium group favorably forms an intramolecular ionic hydrogen bond to one of the oxygen atoms of the flavin chromophore, and this interaction was found to cause a blueshift of the S0 → S1 transition and a redshift of the S0 → S2 transition. For comparison, the S0 → S1 transition shows little solvent dependence (only in regard to the degree of fine structure). In addition, the influence of protonation of the flavin chromophore was elucidated by experimental and theoretical studies of a simple flavin system. While the position of the S0 → S1 absorption was at identical positions in the gas phase for the intramolecularly hydrogen-bonded and protonated flavin systems, the S0 → S2 absorption was further redshifted for the protonated species. This redshift resulting from protonation was also observed in solution.
影响因子：
3.4
作者：
Bonetti, Cosimo;Mathes, Tilo;Kennis, John T. M.
通讯作者：
Kennis, John T. M.
碱离子对黄素光学性质的影响：气相中低温 M 发光铬离子 (M = Li-Cs) 的振动光谱
DOI：
10.1039/c8cp03950j
发表时间：
2018
期刊：
Physical chemistry chemical physics : PCCP
影响因子：
--
作者：
P. Nieto;D. Müller;A. Sheldrick;A. Günther;M. Miyazaki;O. Dopfer
通讯作者：
O. Dopfer
水性和有机溶剂中玫瑰黄素和核黄素的光动力学
影响因子：
2.3
作者：
Penzkofer;Mathes;Hegemann
通讯作者：
Hegemann