The molecule of the title compound, [Sn(4)(C(4)H(9))(8)(C(7)H(6)NO(2))(4)O(2)], lies about an inversion centre and is a tetranuclear bis(tetrabutyldicarboxylatodistannoxane) complex containing a planar Sn(4)O(2) core in which two mu(3)-oxide O atoms connect an Sn(2)O(2) ring to two exocyclic Sn atoms. Each Sn atom has a highly distorted octahedral coordination. In the molecule, the carboxylate groups of two aminobenzoate ligands bridge the central and exocyclic Sn atoms, while two further aminobenzoate ligands have highly asymmetric bidentate chelation to the exocyclic Sn atoms plus long O...Sn interactions with the central Sn atoms. Each Sn atom is also coordinated by two pendant n-butyl ligands, which extend roughly perpendicular to the plane of the Sn(4)O(10) core. Only one of the four unique hydrogen-bond donor sites is involved in a classic N-H...O hydrogen bond, and the resulting supramolecular hydrogen-bonded structure is an extended two-dimensional network which lies parallel to the (100) plane and consists of a checkerboard pattern of four-connected molecular cores acting as nodes. The amine groups not involved in the hydrogen-bonding interactions have significant N-H...pi interactions with neighbouring aminobenzene rings.
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http://dx.doi.org/10.1107/S0108270110003033 | DOI Listing |
Phys Chem Chem Phys
November 2024
Department of Chemistry, Case Western Reserve University, Cleveland, OH 44106, USA.
Heavy-atom-free photosensitizers (HAF-PSs) have emerged as a new class of photosensitizers aiming to broaden their applicability and versatility across various fields of the photodynamic therapy of cancers. The strategy involves replacing the exocyclic oxygen atoms of the carbonyl groups of established biocompatible organic fluorophores with sulfur, thereby bathochromically shifting their absorption spectra and enhancing their intersystem crossing efficiencies. Despite these advancements, the photophysical attributes and electronic relaxation mechanisms of many of these HAF-PSs remain inadequately elucidated.
View Article and Find Full Text PDFMolecules
October 2024
Faculty of Chemistry and Chemical Engineering, Department of Chemistry, Babeș-Bolyai University, 1 M. Kogalniceanu Street, 400084 Cluj-Napoca, Romania.
The current study investigates the influence of several R substituents (e.g., Me, SiH, F, Cl, Br, OH, NH, etc.
View Article and Find Full Text PDFActa Crystallogr C Struct Chem
July 2024
Department of Chemistry & Biochemistry, University of Notre Dame, Notre Dame, IN 46556-5670, USA.
Methyl 2-acetamido-2-deoxy-β-D-glucopyranosyl-(1→4)-2-acetamido-2-deoxy-β-D-glucopyranoside (methyl β-chitobioside), (IV), crystallizes from aqueous methanol at room temperature to give a structure (CHNO·CHOH) containing conformational disorder in the exocyclic hydroxymethyl group of one of its βGlcNAc residues. As observed in other X-ray structures of disaccharides containing β-(1→4) O-glycosidic linkages, inter-residue hydrogen bonding between O3H of the βGlcNAc bearing the OCH aglycone and O5 of the adjacent βGlcNAc is observed based on the 2.79 Å internuclear distance between the O atoms.
View Article and Find Full Text PDFJ Phys Chem Lett
April 2024
Key Laboratory of Organic Optoelectronics and Molecular Engineering of Ministry of Education, Department of Chemistry, Tsinghua University, Beijing 100084, People's Republic of China.
Heterocycles with saturated N atoms (HetSNs) are widely used electron donors in organic light-emitting diode (OLED) materials. Their relatively low bond dissociation energy (BDE) of exocyclic C-N bonds has been closely related to material intrinsic stability and even device lifetime. Thus, it is imperative to realize fast prediction and precise regulation of those C-N BDEs, which demands a deep understanding of the relationship between the molecular structure and BDE.
View Article and Find Full Text PDFPhys Chem Chem Phys
April 2024
Jiangxi Key Laboratory of Organic Chemistry, Jiangxi Science and Technology Normal University, 605 Fenglin Avenue, Nanchang, 330013, P. R. China.
Many BF complexes of heteroaromatics are well known for their dual-state emission (DSE) properties. However, AIE and ACQ effects have also been observed in certain cases. To date, no rational explanations have been proposed for these uncommon photoluminescence (PL) behaviours.
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