2D Compound Constructed by Cu3 Units with Mixed Azido and Tetrazole Double Bridges: Synthesis, Structure, and Theoretical Study on Magnetic Properties

Min Cheng; Dongmei Lu; You Song Ding; Qin Xiang Jia

doi:10.1002/zaac.201500223

2D Compound Constructed by Cu₃ Units with Mixed Azido and Tetrazole Double Bridges: Synthesis, Structure, and Theoretical Study on Magnetic Properties

Min Cheng
, Dongmei Lu
, You Song Ding
, Qin Xiang Jia

School of Chemistry

Xi'an Jiaotong University

Research output: Contribution to journal › Article › peer-review

5 Scopus citations

Abstract

The two-dimensional (2D) layer Cu^II compound [Cu₃(L)₂(N₃)₄] (1) [L = 2-amino-3-(5-tetrazole)-methyate-N-pyridine] was synthesized by in-situ hydrothermal reaction of CuCl₂·2H₂O, NaN₃, and 3-(5-tetrazole)-methyate-N-pyridine. The central Cu1 and Cu2 atoms are located in five-coordinate and six-coordinate arrangements, respectively. Three Cu^II ions are linked by mixed double EO (end-on)-azido-tetrazole bridges to give trinuclear Cu^II clusters, which are further extended by EE (end-to-end) azido bridges to form 2D metal-organic layers. The magnetic exchange interactions in complex 1 were investigated by DFT calculations, and the calculated exchange interaction (J = -849 cm^-1) revealed that the double EO-azido-tetrazole bridges transmit antiferromagnetic coupling between Cu^II ions.

Original language	English
Pages (from-to)	1969-1973
Number of pages	5
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	641
Issue number	11
DOIs	https://doi.org/10.1002/zaac.201500223
State	Published - 1 Sep 2015

Keywords

Copper
Crystal structure
Theoretical study

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10.1002/zaac.201500223

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@article{be1835f322ef4fcd85a2b1af55a8f5d3,

title = "2D Compound Constructed by Cu3 Units with Mixed Azido and Tetrazole Double Bridges: Synthesis, Structure, and Theoretical Study on Magnetic Properties",

abstract = "The two-dimensional (2D) layer CuII compound [Cu3(L)2(N3)4] (1) [L = 2-amino-3-(5-tetrazole)-methyate-N-pyridine] was synthesized by in-situ hydrothermal reaction of CuCl2·2H2O, NaN3, and 3-(5-tetrazole)-methyate-N-pyridine. The central Cu1 and Cu2 atoms are located in five-coordinate and six-coordinate arrangements, respectively. Three CuII ions are linked by mixed double EO (end-on)-azido-tetrazole bridges to give trinuclear CuII clusters, which are further extended by EE (end-to-end) azido bridges to form 2D metal-organic layers. The magnetic exchange interactions in complex 1 were investigated by DFT calculations, and the calculated exchange interaction (J = -849 cm-1) revealed that the double EO-azido-tetrazole bridges transmit antiferromagnetic coupling between CuII ions.",

keywords = "Copper, Crystal structure, Theoretical study",

author = "Min Cheng and Dongmei Lu and Ding, \{You Song\} and Jia, \{Qin Xiang\}",

note = "Publisher Copyright: {\textcopyright} 2015 WILEY-VCH Verlag GmbH and Co. KGaA, Weinheim.",

year = "2015",

month = sep,

day = "1",

doi = "10.1002/zaac.201500223",

language = "英语",

volume = "641",

pages = "1969--1973",

journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",

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number = "11",

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TY - JOUR

T1 - 2D Compound Constructed by Cu3 Units with Mixed Azido and Tetrazole Double Bridges

T2 - Synthesis, Structure, and Theoretical Study on Magnetic Properties

AU - Cheng, Min

AU - Lu, Dongmei

AU - Ding, You Song

AU - Jia, Qin Xiang

PY - 2015/9/1

Y1 - 2015/9/1

N2 - The two-dimensional (2D) layer CuII compound [Cu3(L)2(N3)4] (1) [L = 2-amino-3-(5-tetrazole)-methyate-N-pyridine] was synthesized by in-situ hydrothermal reaction of CuCl2·2H2O, NaN3, and 3-(5-tetrazole)-methyate-N-pyridine. The central Cu1 and Cu2 atoms are located in five-coordinate and six-coordinate arrangements, respectively. Three CuII ions are linked by mixed double EO (end-on)-azido-tetrazole bridges to give trinuclear CuII clusters, which are further extended by EE (end-to-end) azido bridges to form 2D metal-organic layers. The magnetic exchange interactions in complex 1 were investigated by DFT calculations, and the calculated exchange interaction (J = -849 cm-1) revealed that the double EO-azido-tetrazole bridges transmit antiferromagnetic coupling between CuII ions.

AB - The two-dimensional (2D) layer CuII compound [Cu3(L)2(N3)4] (1) [L = 2-amino-3-(5-tetrazole)-methyate-N-pyridine] was synthesized by in-situ hydrothermal reaction of CuCl2·2H2O, NaN3, and 3-(5-tetrazole)-methyate-N-pyridine. The central Cu1 and Cu2 atoms are located in five-coordinate and six-coordinate arrangements, respectively. Three CuII ions are linked by mixed double EO (end-on)-azido-tetrazole bridges to give trinuclear CuII clusters, which are further extended by EE (end-to-end) azido bridges to form 2D metal-organic layers. The magnetic exchange interactions in complex 1 were investigated by DFT calculations, and the calculated exchange interaction (J = -849 cm-1) revealed that the double EO-azido-tetrazole bridges transmit antiferromagnetic coupling between CuII ions.

KW - Copper

KW - Crystal structure

KW - Theoretical study

UR - https://www.scopus.com/pages/publications/84941937916

U2 - 10.1002/zaac.201500223

DO - 10.1002/zaac.201500223

M3 - 文章

AN - SCOPUS:84941937916

SN - 0044-2313

VL - 641

SP - 1969

EP - 1973

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

IS - 11

ER -

2D Compound Constructed by Cu₃ Units with Mixed Azido and Tetrazole Double Bridges: Synthesis, Structure, and Theoretical Study on Magnetic Properties

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