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[期刊论文]

烷氧桥联混合配位的双核铜配合物的合成、结构及量子化学计算

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author:

李浩宏 (李浩宏.) [1] | 陈之荣 (陈之荣.) [2] (Scholars:陈之荣) | 李俊篯 (李俊篯.) [3] | Unfold

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CQVIP PKU CSCD

Abstract:

The synthesis, structural characterization and theoretical investigation of a novel alkoxo-bridged dinuclear copper(Ⅱ) compound has been described. The title compound has the formula C22H28Cl2Cu2N8O11. It consists of dinuclear units with bridging methoxo groups. The ligands 2-amino-pyridine and 2-amino-6-hydroxyl-pyridine are linked to each copper via the pyridine N atoms respectively, providing a square planar CuN2O2 unit. The ClO4- anions in the title compound are semi-coordinated to copper ion at the distance of 0.265 83(4) nm (Cu-O (ClO4-). The Cu-Cu distances within the dinuclear units are 0.299 79(9) nm with Cu-O-Cu angles of 102.27(9)°.The structures are stabilized by intramolecular H-bonds between the amino hydrogen atoms and oxygen atoms.Based on crystal data, quantum chemistry calculation on DFT/B3LPY level was used to reveal the electronic structure of the title compound. CCDC: 270807.

Keyword:

混合配位 烷氧桥联 量子化学计算 铜(Ⅱ)配合物

Community:

  • [ 1 ] [李浩宏]福州大学
  • [ 2 ] [陈之荣]福州大学
  • [ 3 ] [李俊篯]福州大学
  • [ 4 ] [肖伏贤]福州大学
  • [ 5 ] [黄长沧]福州大学
  • [ 6 ] [张文选]福州大学

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Source :

无机化学学报

ISSN: 1001-4861

CN: 32-1185/O6

Year: 2006

Issue: 3

Volume: 22

Page: 519-524

0 . 5 8 3

JCR@2006

0 . 8 0 0

JCR@2023

ESI Discipline: CHEMISTRY;

JCR Journal Grade:4

Cited Count:

WoS CC Cited Count:

30 Days PV: 1

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