| In this paper,2-quinolinecarboxylic acid was selected as the parent,and a series of unilateral quinolinoid organic compounds with asymmetric structure were designed and synthesized by qualitative modification of the carboxylic acid groups on the nitrogen heterocyclic ring.This nitrogen heterocyclic derivatives were reacted with metal salts to develop metal complexes with different structures.Their single crystal structures,IR spectra,UV spectra,fluorescence spectra and thermal spectra were analyzed,and the quantum chemical calculation has been utilized to explore their crystal structure and optical properties.The fourteen crystals to study on are as follows: [Pb?pqnthz??OAc?]?1?[Pb?pqnthz??NO3??H2O?]?2?[Cd?pqnthz?I?H2O?]·H2O?3?[Zn?pqnthz?2]·DMF?4?[Ni?pqnthz?2]·DMF?5?[Co?pqnthz?2]?6?[Mn?pqnthz?2]·DMF?7?[Zn?bqnthz?Cl?CH3OH?]?8?[Zn?bqnthz?2]·DMF?9?[Mn?bqnthz?2]?10?[Zn?bzqnthz?2]·H2O?11?[Mn?bzqnthz?2]·H2O?12?[Co?bzqnthz?2]?13?[Ni?bzqnthz?2]?14??In the chemical formula,pqnthz is the deprotonation of N-propionyl-2-quinoline formyl hydrazine;bqnthz reveals the deprotonation of N-butyryl-2-quinoline formyl hydrazine;bzqnthz reveals the deprotonation of N-benxoyl-2-quinoline formyl hydrazine?X-ray single crystal diffraction experiments were carried out on the 14 crystals,and the structures were analyzed.The results show that the crystals 2,3,4,5,7,8,9 are triclinic system and the space groups are P-1;crystal 1,6,11,12,13,14 are monoclinic system in which the space group of crystal 1 is P21/c,the space group of crystal 6 is P21/n,the space of crystal 11,12,space groups are C2 / c,the space group of crystal 13 is I2/a;crystal 10 is orthorhombic system and space group is Pnn2 which is noncardioid space group,flack = 0.089?13?.All complexes are mononuclear.Crystal 1,2,3,8 are twisted quadrilateral cones coordination configuration,consisting of a metal ion,a dehydrogen ligand and other auxiliary ligands.Crystals 4,5,6,7,9,10,11,12,13,14 are coordinated in a twisted octahedral coordination configuration,similar in structure,consisting of a metal ion with two deprotonate ligands Chelating composition,part of the complex molecules also contain DMF molecules.There are hydrogen bond interactions in the 14 crystal lattices so that they have a stable crystal structure.And the molecules can be formed between the hydrogen ring,making the structure further expanded in three-dimensional space to form a stable crystal structure.The peak position of the specific functional groups of each crystal and the change of the peak position after ligand and metal coordination were obtained by analyzing the infrared spectra of 14 crystals.The results of UV and fluorescence tests show that the complexes are excited by proton in the proton donor and the proton acceptor,which are excited by the ultraviolet light.And the d orbital of the metal ions interact with the ? bond of the macrocyclic material.In the ultraviolet light irradiation,crystal 1,2,3,4,8,11 are issued yellow light.Quantum chemistry calculations,descriptions of crystals 3,4,5,6 and ligand Hpqnthz show that the energy difference of the frontline molecular orbital changes,and this relationship has a good relationship with its properties. |
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