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1.
ACS Omega ; 7(27): 24027-24039, 2022 Jul 12.
Artigo em Inglês | MEDLINE | ID: mdl-35847313

RESUMO

o-Carboranyl compounds contain specific geometries, ranging from planar to orthogonally distorted biphenyl rings. Herein, 13 o-carboranyl compounds, 1HF-13PP, were synthesized and fully characterized to determine the impact of structural formation of the aromatic group appended with the o-carborane to estimate the efficiency of their radiative decay process. All the compounds exhibited significant intramolecular charge transfer (ICT)-based emission in the crystalline state at 298 K. Remarkably, increasing the distorted dihedral angles between biphenyl rings gradually decreased the emission efficiencies. Furthermore, their radiative decay constants decreased linearly with increasing dihedral angles, which demonstrated the inversely proportional relationship between these two factors. These findings distinctly suggest that the planar or distorted geometry of substituted aryl groups can strongly affect the efficiency of the ICT-based radiative process in o-carboranyl luminophores.

2.
Dalton Trans ; 50(9): 3207-3215, 2021 Mar 07.
Artigo em Inglês | MEDLINE | ID: mdl-33576753

RESUMO

5-Phenyl-1,2,4-triazole-appended closo- (CB1 and CB2) and nido-o-carboranyl (nido-CB1 and nido-CB2) compounds were prepared and fully characterized using multinuclear NMR spectroscopy and elemental analysis. The solid-state molecular structures of both closo-compounds were analyzed by X-ray crystallography. Although the closo-compounds exhibited dual emissive patterns in the rigid state (in THF at 77 K), which were assignable to a π-π* local excitation (LE)-based emission (λem = ca. 380 nm) on the triazole moieties and to an intramolecular charge transfer (ICT)-based emission (ca. 460 nm) in which the o-carborane units acted as the acceptor (A), at 298 K in THF, the LE-based emission dominated. In contrast, the nido-compounds exhibited an intensive emission originating from ICT transitions in which the o-carborane units reversibly acted as the donor (D). In particular, the positive solvatochromic effects of both nido-compounds and the results of theoretical calculations for the o-carboranyl compounds supported the electronic role of the o-carboranyl unit in each compound. Investigation of the radiative decay mechanism of the closo- and nido-compounds using their quantum efficiency (Φem) and decay lifetime (τobs) suggested that the ICT-based radiative decay of nido-compounds occurred more efficiently than the LE-based decay of closo-compounds. These results implied that emission from the closo-compounds was drastically enhanced by the deboronation reaction upon exposure to an increasing concentration of fluoride anions, and finally became similar to the emission color (sky-blue) of the nido-compounds.


Assuntos
Boranos/química , Elétrons , Triazóis/química , Cristalografia por Raios X , Teoria da Densidade Funcional , Modelos Moleculares , Estrutura Molecular , Processos Fotoquímicos
3.
Molecules ; 26(1)2020 Dec 23.
Artigo em Inglês | MEDLINE | ID: mdl-33374726

RESUMO

A novel class of quinolinol-based dimeric indium complexes (1-6) was synthesized and characterized using 1H and 13C(1H) NMR spectroscopy and elemental analysis. Compounds 1-6 exhibited typical low-energy absorption bands assignable to quinolinol-centered π-π* charge transfer (CT) transition. The emission spectra of 1-6 exhibited slight bathochromic shifts with increasing solvent polarity (p-xylene < tetrahydrofuran (THF) < dichloromethane (DCM)). The emission bands also showed a gradual redshift, with an increase in the electron-donating effect of substituents at the C5 position of the quinoline groups. The absolute emission quantum yields (ΦPL) of compounds 1 (11.2% in THF and 17.2% in film) and 4 (17.8% in THF and 36.2% in film) with methyl substituents at the C5 position of the quinoline moieties were higher than those of the indium complexes with other substituents.


Assuntos
Índio/química , Processos Fotoquímicos , Teoria Quântica , Ácido Quinolínico/síntese química , Solventes/química , Modelos Moleculares , Estrutura Molecular
4.
Conf Proc IEEE Eng Med Biol Soc ; 2005: 3749-52, 2005.
Artigo em Inglês | MEDLINE | ID: mdl-17281044

RESUMO

Diabetes is an incurable chronic disease with the prevalence high in developed countries. The number of patients in Korea is also on a steady increase. Patients have to self-manage their blood glucose level by daily test and insulin injection. Therefore, it is very important to assist them in self-management procedure. In this study, PDA(personal digital assistant) based PDMS (personal diabetes management system) was developed in the integrated environment of Visual Studio .NET 2003, which consisted of four main menus to manage personal information, diet, exercise, and blood glucose. It gives quantitative health indices, such as BMI (body mass index) and diabetes index, based on personal physical information, pedigree, and living habits. In addition, it is capable of predicting change of the body weight, which may remind patients of the importance of the disease management. The present system can be used as a mobile device within the tele-healthcare system integrated with medical center through Internet.

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