A deep-red fluorophore based on naphthothiadiazole as emitter with hybridized local and charge transfer and ambipolar transporting properties for electroluminescent devices

• Suangsiri Arunlimsawat,
• Patteera Funchien,
• Pongsakorn Chasing,
• Atthapon Saenubol,
• Taweesak Sudyoadsuk and
• Vinich Promarak

Beilstein J. Org. Chem. 2023, 19, 1664–1676, doi:10.3762/bjoc.19.122

• extended π-conjugation lengths which eventually favor the undesired formation of poorly emissive molecular aggregates must be overcome. Alternatively, donor–acceptor (D–A)-type organic fluorophores have been introduced and successfully exploited for the development of fluorophores with DR/NIR emissions

Thermally activated delayed fluorescence (TADF) emitters: sensing and boosting spin-flipping by aggregation

• Ashish Kumar Mazumdar,
• Gyana Prakash Nanda,
• Nisha Yadav,
• Upasana Deori,
• Upasha Acharyya,
• Bahadur Sk and
• Pachaiyappan Rajamalli

Beilstein J. Org. Chem. 2022, 18, 1177–1187, doi:10.3762/bjoc.18.122

• as well as the relevance for fluorescence-based acid–base sensing. Keywords: intramolecular charge transfer; molecular aggregates; sensing; thermally activated delayed fluorescence (TADF); Introduction Metal-free organic solid-state emitters have gained increasing interest in recent years due to

• twisted intramolecular CT state led to fluorescence quenching in the highly polar water/THF mixture (10–70 vol % water, Figure 3a, c, and e) [34][35][36]. It again started glowing when the water fraction was increased beyond 80 vol % (Figure 3a, c, and e). The formation of molecular aggregates in >80 vol

Self-assembly behaviors of perylene- and naphthalene-crown macrocycle conjugates in aqueous medium

• Xin Shen,
• Bo Li,
• Tiezheng Pan,
• Jianfeng Wu,
• Yangxin Wang,
• Jie Shang,
• Yan Ge,
• Lin Jin and
• Zhenhui Qi

Beilstein J. Org. Chem. 2019, 15, 1203–1209, doi:10.3762/bjoc.15.117

• through hydrogen bonding and metal ion coordination in nonpolar solvents [66][67][68]. Compared with NDI, PDI has more aromatic rings to generate stronger intermolecular π−π stacking, leading to molecular aggregates more easily, and these aggregates or supramolecular assemblies can give rise to desirable

The phenyl vinyl ether–methanol complex: a model system for quantum chemistry benchmarking

• Dominic Bernhard,
• Fabian Dietrich,
• Mariyam Fatima,
• Cristóbal Pérez,
• Hannes C. Gottschalk,
• Axel Wuttke,
• Ricardo A. Mata,
• Martin A. Suhm,
• Melanie Schnell and
• Markus Gerhards

Beilstein J. Org. Chem. 2018, 14, 1642–1654, doi:10.3762/bjoc.14.140

• structural arrangements and energetic preferences, investigations on a molecular level are required on isolated molecular aggregates, allowing for an ideal comparison with gas phase calculations. This can be achieved by molecular beam experiments, which can be combined with a variety of spectroscopic

Chemical systems, chemical contiguity and the emergence of life

• Terrence P. Kee and
• Pierre-Alain Monnard

Beilstein J. Org. Chem. 2017, 13, 1551–1563, doi:10.3762/bjoc.13.155

• concerning the “Origin of Life”. Indeed, the study of complex molecular aggregates, which is now called “system chemistry” [103], seems to be consistent with the emergence of cellular complexity. Moreover, it has the potential to inherently satisfy the concept of evolutionary continuity. Obviously, an

Sequence-specific RNA cleavage by PNA conjugates of the metal-free artificial ribonuclease tris(2-aminobenzimidazole)

• Friederike Danneberg,
• Alice Ghidini,
• Plamena Dogandzhiyski,
• Elisabeth Kalden,
• Roger Strömberg and
• Michael W. Göbel

Beilstein J. Org. Chem. 2015, 11, 493–498, doi:10.3762/bjoc.11.55

• RNAs 15 or 17 under identical conditions (Supporting Information File 1). The relatively low site specificity, as discussed above, may be related to the pyrimidine rich sequence of RNA 16. To examine whether PNA conjugates 10–14 would form molecular aggregates with noncognate oligonucleotides, the

• noncognate DNAs 18/19, indicating that no aggregates were formed. In contrast, addition of 10mer conjugate 11 or of 15mer conjugates 12, 13, and 14 to DNAs 18/19 led to considerable changes in diffusion times, which was most evident for PNAs 11 and 13. This clearly shows that molecular aggregates of

Synthesis and characterization of a new photoinduced switchable β-cyclodextrin dimer

• Florian Hamon,
• Claire Blaszkiewicz,
• Marie Buchotte,
• Estelle Banaszak-Léonard,
• Hervé Bricout,
• Sébastien Tilloy,
• Eric Monflier,
• Christine Cézard,
• Laurent Bouteiller,
• Christophe Len and
• Florence Djedaini-Pilard

Beilstein J. Org. Chem. 2014, 10, 2874–2885, doi:10.3762/bjoc.10.304

• discriminate signals arising from different species by their diffusion rates. This method is very helpful and convenient for characterizing molecular aggregates or inclusion complexes [40]. The diffusion coefficient (D) is directly related to the molecular mass of the observed species in solution. In other

Host–guest-driven color change in water: influence of cyclodextrin on the structure of a copper complex of poly((4-hydroxy-3-(pyridin-3-yldiazenyl)phenethyl)methacrylamide-co-dimethylacrylamide)

• Nils Retzmann,
• Gero Maatz and
• Helmut Ritter

Beilstein J. Org. Chem. 2014, 10, 2480–2483, doi:10.3762/bjoc.10.259

• the hydrodynamic diameter (Dh) increased from 11 to 16 nm, while the addition of γ-CD reverses the aggregation effect and reduces the Dh correspondingly. This effect, however it is not fully reversible clearly shows the potential ability of 7 to form high molecular aggregates caused by reversible azo

Synthesis of novel conjugates of a saccharide, amino acids, nucleobase and the evaluation of their cell compatibility

• Dan Yuan,
• Xuewen Du,
• Junfeng Shi,
• Ning Zhou,
• Abdulgader Ahmed Baoum and
• Bing Xu

Beilstein J. Org. Chem. 2014, 10, 2406–2413, doi:10.3762/bjoc.10.250

• compatibility but are unable to self-assemble in water to form hydrogels. Their excellent solubility in water implies that these molecules may find applications for breaking up molecular aggregates in water, a much-needed property for warranting genuine monomeric ligand–receptor interactions. The conjugates 5–8

The influence of intraannular templates on the liquid crystallinity of shape-persistent macrocycles

• Joscha Vollmeyer,
• Ute Baumeister and
• Sigurd Höger

Beilstein J. Org. Chem. 2014, 10, 910–920, doi:10.3762/bjoc.10.89

• 4.6 Å characteristic for the average distance between the molecules along their short axes and between the side chains. In the small angle region there are two diffuse rings. These can be an indication of molecular aggregates which are already formed in the isotropic liquid [38]. The pattern slightly

Computational evidence for intramolecular hydrogen bonding and nonbonding X···O interactions in 2'-haloflavonols

• Tânia A. O. Fonseca,
• Matheus P. Freitas,
• Rodrigo A. Cormanich,
• Teodorico C. Ramalho,
• Cláudio F. Tormena and
• Roberto Rittner

Beilstein J. Org. Chem. 2012, 8, 112–117, doi:10.3762/bjoc.8.12

• interactions; theoretical calculations; Introduction Intermolecular hydrogen bonding (HB) is an interaction governing self-assembly and is responsible for the architecture and organization of molecular aggregates [1], and also ligand–receptor interactions that are responsible for the bioactivity of compounds