Reaction of the diethylammonium salt of N-thiophosphorylated thioureate [Et2NC(S)NP(S)(OiPr)2]− (L–) with CdCl2 in aqueous ethanol leads to the complex [CdL2]. The compound crystallizes in the triclinic space group P1̅ with Z = 2 and the metal cation is found in a tetrahedral S2S′2 coordination environment formed by the C–S and P–S sulfur atoms. The Hirshfeld surface analysis showed that the structure of [CdL2] is dominated by H···H, S···H, and O···H contacts. According to charge and energy decomposition scheme ETS-NOCV, topological noncovalent index (NCI) and quantum theory of atoms in molecules (QTAIM) calculations, both inter- and intramolecular noncovalent C–H···S and C–H···H–C interactions are the main factors that stabilize [CdL2]. Calculated NMR data, based on the GIAO approach, are in very good agreement with experimental data. The complex [CdL2] is an efficient single-source precursor for the formation of TOPO-capped CdS nanoparticles of about 5 nm diameter with wurtzite structure (TOPO = tri-n-octylphosphine oxide). Their growth was monitored over a period of time by means of UV–vis spectroscopy. From ETS-NOCV modeling, the TOPO molecules were found to strongly adhere to the CdS nanoparticles through dative-covalent Cd–O bonds as well as through secondary noncovalent C–H···Cd and C–H···S interactions. The characteristic band edge luminescence was observed in the emission spectra of all samples. The TEM microscopy showed well-dispersed spherical CdS nanoparticles; the composition was supported by EDX.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
A highly efficient binder for the selective recognition and determination of Hg(NO3)2concentration in kidney and liver tissues of fish using a fluorescence method is described.
An entry from the Cambridge Structural Database, the world’s repository for small molecule crystal structures. The entry contains experimental data from a crystal diffraction study. The deposited dataset for this entry is freely available from the CCDC and typically includes 3D coordinates, cell parameters, space group, experimental conditions and quality measures.
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