2-Benzoylbenzoic acid

Photosensitizing properties of compounds related to benzophenone.[Pubmed:22983706]

Acta Derm Venereol. 2013 Jan;93(1):30-2.

Benzophenone is a phototoxic compound with absorption maxima in the ultraviolet A (UVA) and ultraviolet B (UVB) range. Many benzophenone derivatives are known to be photosensitizing. On the other hand, 2-hydroxy-4-methoxybenzophenone is used as a photoprotective agent. The aim of the present study was to analyse a range of benzophenone derivatives and thus examine the effects of molecular changes in the benzophenone molecule on phototoxic behaviour. Phototoxicity was tested by an in vitro photohaemolysis test. The tested compounds were benzophenone itself and the derivatives 2-hydroxybenzophenone, 2-aminobenzophenone, 2-Benzoylbenzoic acid, 3-hydroxybenzophenone, and 4-hydroxybenzo-phenone, as well as the structurally similar compounds 9-fluorenone, 9-fluorenone-2-carboxylic acid, cyclohexyl phenyl ketone, and 1,4-naphtho-quinone. It was shown that minor changes in molecular structure can result in highly different phototoxic characteristics.

[The electroluminescence of a novel complex Eu(o-BBA)3(phen)].[Pubmed:17020020]

Guang Pu Xue Yu Guang Pu Fen Xi. 2006 Jul;26(7):1199-202.

A novel rare earth complex of Eu ion with 2-Benzoylbenzoic acid and 1,10-phenathrolinephen (Eu(o-BBA)3 (phen)) was synthesized and used as a dopant to fabricate efficient electroluminescence(EL) devices. It was doped into poly(N-vinylcarbazole) (PVK) and spin coated into films. Devices using organic layer Alq3 (or inserted hole blocking layer BCP) and inorganic layer ZnS as electron transporting layer respectively were fabricated. The luminescence properties of the single-layer decvice A (ITO/PVK : Eu/Al) and the organic-inorganic heterostructure device were analyzed. It was found that the device using ZnS as the electron transporting layer has higher brightness and lower threshold voltage while maintains pure emission.

Exploring the ability of frozen-density embedding to model induced circular dichroism.[Pubmed:16836441]

J Phys Chem A. 2006 Jul 20;110(28):8786-96.

In this study, we present calculations of the circular dichroism (CD) spectra of complexes between achiral and chiral molecules. Nonzero rotational strengths for transitions of the nonchiral molecule are induced by interactions between the two molecules, which cause electronic and/or structural perturbations of the achiral molecule. We investigate if the chiral molecule (environment) can be represented only in terms of its frozen electron density, which is used to generate an effective embedding potential. The accuracy of these calculations is assessed in comparison to full supermolecular calculations. We can show that electronic effects arising from specific interactions between the two subsystems can reliably be modeled by the frozen-density representation of the chiral molecule. This is demonstrated for complexes of 2-Benzoylbenzoic acid with (-)-(R)-amphetamine and for a nonchiral, artificial amino acid receptor system consisting of ferrocenecarboxylic acid bound to a crown ether, for which a complex with l-leucine is studied. Especially in the latter case, where multiple binding sites and interactions between receptor and target molecule exist, the frozen-density results compare very well with the full supermolecular calculation. We also study systems in which a cyclodextrin cavity serves as a chiral host system for a small, achiral molecule. Problems arise in that case because of the importance of excitonic couplings with excitations in the host system. The frozen-density embedding cannot describe such couplings but can only capture the direct effect of the host electron density on the electronic structure of the guest. If couplings play a role, frozen-density embedding can at best only partially describe the induced circular dichroism. To illustrate this problem, we finally construct a case in which excitonic coupling effects are much stronger than direct interactions of the subsystem densities. The frozen density embedding is then completely unsuitable.