The photophysics of 7H-adenine: A quantum chemical investigation including spin–orbit effects

Marian, Christel M.; Kleinschmidt, Martin; Tatchen, Jörg

doi:10.1016/j.chemphys.2007.08.015

Cited by 26 publications

(30 citation statements)

References 51 publications

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“…claimed that the arylboronic esters can also emit remarkable RTP in solid, which was benefited from the boron functionality . Theoretical calculations on molecule 47 indicated that T 1 state possessed an out‐of‐plane distortion structure rather than a planar structure, which may facilitate the mixing of π and σ orbitals, and lead to a large SOC value ξ (T 1 , S 0 ) of 2.13 cm −1 . Consequently, they concluded that the structural deformation at the T 1 state was responsible for the phosphorescent process.…”

Section: Viewpoints On Organic Rtp Materialsmentioning

confidence: 99%

Room‐Temperature Phosphorescence in Metal‐Free Organic Materials

et al. 2019

Annalen der Physik

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Purely organic materials with room-temperature phosphorescence (RTP) have attracted a growing interest for their potential applications in biological imaging, digital encryption, optoelectronic devices, and so on. To date, many strategies have succeeded in designing efficient organic RTP materials by overcoming the spin-forbidden transition between singlet and triplet states. However, the underlying mechanisms of RTP still remain ambiguous. Such spin prohibition in phosphorescence are clarified, herein, from the perspective of perturbation theory, helping to understand the intrinsic relationship among various phosphorescence parameters, like phosphorescence efficiency, lifetime, intersystem crossing rate, as well as radiative and nonradiative rates. Taking into consideration the recent progress in organic RTP materials, these factors are further illustrated by a selection of the most relevant molecules. In addition, some novel RTP phenomena are also reviewed, thus providing an excellent guideline to constructing efficient RTP materials.

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Section: Viewpoints On Organic Rtp Materialsmentioning

confidence: 99%

Room‐Temperature Phosphorescence in Metal‐Free Organic Materials

et al. 2019

Annalen der Physik

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“…A deeper understanding of these processes can only be obtained through high-level theoretical calculations. Consequently, many theoretical studies based on quantum chemistry calculations have been dedicated to uracil/thymine [18,31,[44][45][46][47][48][49][50][51][52][53][54][55], cytosine [32,47,[56][57][58][59][60][61][62][63][64][65][66][67], adenine [46,51,[68][69][70][71][72][73][74][75][76][77][78] and guanine [24,[79][80][81][82][83][84][85]…”

Section: Solvent Effectsmentioning

confidence: 99%

Femtosecond fluorescence studies of DNA/RNA constituents

Gustavsson¹,

Bányász

Improta³

et al. 2011

J. Phys.: Conf. Ser.

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In this overview, femtosecond fluorescence studies of various DNA constituents are presented, ranging from the monomeric chromophores to different model helices. In order to interpret the experimental results in terms of fundamental processes on the molecular scale they are discussed in the light of recent theoretical calculations. The ultrafast fluorescence decay observed for the monomers is explained by the involvement of highly efficient conical intersections (CI) between the first singlet excited state and the ground state. For the model helices, the picture is more complex, but fluorescence anisotropy data reveal collective effects.

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“…Marian et al found some higher potential barriers for the relaxation into the ground state for bare 7H-Ade compared to 9H-Ade. 32 These barriers would explain the larger excited state lifetime assigned to 7H-Ade in solution.…”

Section: Introductionmentioning

confidence: 99%

Time-resolved photoelectron spectroscopy of adenine and adenosine in aqueous solution

Buchner

Ritze

Lahl

et al. 2013

Phys. Chem. Chem. Phys.

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Time-resolved photoelectron spectroscopy is applied to study the excited state dynamics of the DNA base adenine and its ribonucleoside adenosine in aqueous solution for pump and probe photon energies in the range between 4.66 eV and 5.21 eV. We follow the evolution of the prepared excited state on the potential energy surface and retrieve lifetimes of the S1 state under different excitation conditions.

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The photophysics of 7H-adenine: A quantum chemical investigation including spin–orbit effects

Cited by 26 publications

References 51 publications

Room‐Temperature Phosphorescence in Metal‐Free Organic Materials

Room‐Temperature Phosphorescence in Metal‐Free Organic Materials

Femtosecond fluorescence studies of DNA/RNA constituents

Time-resolved photoelectron spectroscopy of adenine and adenosine in aqueous solution

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