Laser-induced emission spectroscopy of acridine cooled in a supersonic jet: the role of dimers and hydrogen-bonding in photophysics of acridine

Prochorow, J.; Deperasińska, Irena; Morawski, Olaf

doi:10.1016/s0022-2860(00)00591-3

Cited by 7 publications

(5 citation statements)

References 37 publications

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“…Due to the good agreement between the experimental and the calculated dimer shifts, the structure of the matrixisolated ACR dimer is expected to be close to the calculated global minimum-energy structure (Figure 4). Consequently, we disagree with the head-to-tail structure proposed by Prochorow et al [33,36] It is less supported by experimental results and the applied low-level theoretical methods underestimate dispersion interactions, favouring a structure with a hydrogen bond from the CH hydrogen atom of the central ring of the first molecule to the nitrogen atom of the second one. Dispersion interactions should not be disregarded in general.…”

Section: The Acridine Dimercontrasting

confidence: 99%

“…[35] However, the theoretical calculation of the dimer based on force fields and parametrised mean-field methods, which describe the dimer as a head-to-tail structure, does not correspond to the experimental results. [33,36] In this work, we contribute the previously missing elec- tronic absorption spectrum of the ACR monomer isolated in a Ne matrix to the set of spectra already available in literature. This is extended by spectra of the isolated dimer and also the trimer.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Aggregation of N-Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer

Himmel,

Germer,

Bauer

et al. 2024

Preprint

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Polycyclic aromatic hydrocarbons and their nitrogen-substituted analogues are of great interest for various applications in organic electronics. The performance of such devices is determined not only by the properties of the single molecules, but also by the structure of their aggregates, which often form via self-aggregation. Gaining insight into such aggregation processes is a challenging task, but crucial for a fine-tuning of the materials properties. In this work, an efficient approach for the generation and characterisation of aggregates is described, based on matrix-isolation experiments and quantum-chemical calculations. This approach is exemplified for aggregation of acridine. The acridine dimer and trimer are thoroughly analysed on the basis of matrix-isolation spectroscopy over two spectral ranges and quantum chemical calculations, which agree well with each other. Thereby a novel structure of the acridine dimer is found, which disagrees with a previously reported one. In addition, a structure of the trimer is determined and new insight into the photophysics of small acridine aggregates is gained. Finally, an outlook is given on how even higher aggregates can be made accessible through experiment.

show abstract

Section: The Acridine Dimercontrasting

confidence: 99%

Section: Introductionmentioning

confidence: 99%

Aggregation of N-Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer

Himmel,

Germer,

Bauer

et al. 2024

Preprint

View full text Add to dashboard Cite

show abstract

“…Due to the good agreement between the experimental and the calculated dimer shifts, the structure of the matrix-isolated ACR dimer is expected to be close to the calculated global minimum-energy structure (Figure 4). Consequently, we disagree with the head-to-tail structure proposed by Prochorow et al [33,36] It is less supported by experimental results and the applied low-level theoretical methods underestimate dispersion interactions, favouring a structure with a hydrogen bond from the CH hydrogen atom of the central ring of the first molecule to the nitrogen atom of the second one. Dispersion interactions should not be disregarded in general.…”

Section: The Acridine Dimercontrasting

confidence: 99%

“…The fluorescence quantum yield of the monomer can be increased in solution by polar solvents or protonation, [34] which is in line with theoretical results [35] . However, the theoretical calculation of the dimer based on force fields and parametrised mean‐field methods, which describe the dimer as a head‐to‐tail structure, does not correspond to the experimental results [33,36] …”

Section: Introductionsupporting

confidence: 58%

“…[35] However, the theoretical calculation of the dimer based on force fields and parametrised mean-field methods, which describe the dimer as a head-to-tail structure, does not correspond to the experimental results. [33,36] In this work, we contribute the previously missing electronic absorption spectrum of the ACR monomer isolated in a Ne matrix to the set of spectra already available in literature. This is extended by spectra of the isolated dimer and also the trimer.…”

Section: Introductionmentioning

confidence: 99%

See 1 more Smart Citation

Aggregation of N‐Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer

Germer,

Bauer,

Hübner

et al. 2024

Chemistry A European J

View full text Add to dashboard Cite

Polycyclic aromatic hydrocarbons and their nitrogen‐substituted analogues are of great interest for various applications in organic electronics. The performance of such devices is determined not only by the properties of the single molecules, but also by the structure of their aggregates, which often form via self‐aggregation. Gaining insight into such aggregation processes is a challenging task, but crucial for a fine‐tuning of the materials properties. In this work, an efficient approach for the generation and characterisation of aggregates is described, based on matrix‐isolation experiments and quantum‐chemical calculations. This approach is exemplified for aggregation of acridine. The acridine dimer and trimer are thoroughly analysed on the basis of experimental and calculated UV and IR absorption spectra, which agree well with each other. Thereby a novel structure of the acridine dimer is found, which disagrees with a previously reported one. The calculations also show the changes from excitonic coupling towards orbital interactions between two molecules with decreasing distance to each other. In addition, a structure of the trimer is determined. Finally, an outlook is given on how even higher aggregates can be made accessible through experiment.

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Fluorescence excitation and fluorescence spectra of jet-cooled phenanthridine and 7,8-benzoquinoline

Prochorow

Deperasińska

Stepanenko

2004

Chemical Physics Letters

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Laser-induced emission spectroscopy of acridine cooled in a supersonic jet: the role of dimers and hydrogen-bonding in photophysics of acridine

Cited by 7 publications

References 37 publications

Aggregation of N-Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer

Aggregation of N-Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer

Aggregation of N‐Heteropolycyclic Aromatic Molecules: The Acridine Dimer and Trimer

Fluorescence excitation and fluorescence spectra of jet-cooled phenanthridine and 7,8-benzoquinoline

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