A sensor for formaldehyde detection: Luminescent metal-organic framework [Zn2(H2L)(2,2′-bpy)2(H2O)]n

Zhengyan Zhao; Juanyuan Hao; Xuedan Song; Suzhen Ren; Ce Hao

doi:10.1039/c5ra07373a

A sensor for formaldehyde detection: Luminescent metal-organic framework [Zn₂(H₂L)(2,2′-bpy)₂(H₂O)]_n

Zhengyan Zhao
, Juanyuan Hao
, Xuedan Song
, Suzhen Ren
, Ce Hao^*

^*Corresponding author for this work

Dalian University of Technology

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

29 Scopus citations

Abstract

Density functional theory and time-dependent density functional theory methods have been used to investigate the hydrogen bonding between the Metal-organic framework [Zn₂(H₂L)(2,2′-bpy)₂(H₂O)]_n and formaldehyde in the electronically excited state. The calculated geometric configuration, ¹H NMR chemical shift and IR spectra of the hydrogen-bonded complex demonstrated that the hydrogen bond was strengthened in the excited state S₁. The strengthening of the hydrogen bond in the S₁ state would lead to a luminescence decreasing phenomenon of [Zn₂(H₂L)(2,2′-bpy)₂(H₂O)]_n, and the fluorescent rate constant of [Zn₂(H₂L)(2,2′-bpy)₂(H₂O)]_n was decreased when encapsulating formaldehyde into it. Taken together, these results indicated that [Zn₂(H₂L)(2,2′-bpy)₂(H₂O)]_n could be used for the detection of formaldehyde.

Original language	English
Pages (from-to)	49752-49758
Number of pages	7
Journal	RSC Advances
Volume	5
Issue number	61
DOIs	https://doi.org/10.1039/c5ra07373a
State	Published - 2015
Externally published	Yes

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title = "A sensor for formaldehyde detection: Luminescent metal-organic framework [Zn2(H2L)(2,2′-bpy)2(H2O)]n",

abstract = "Density functional theory and time-dependent density functional theory methods have been used to investigate the hydrogen bonding between the Metal-organic framework [Zn2(H2L)(2,2′-bpy)2(H2O)]n and formaldehyde in the electronically excited state. The calculated geometric configuration, 1H NMR chemical shift and IR spectra of the hydrogen-bonded complex demonstrated that the hydrogen bond was strengthened in the excited state S1. The strengthening of the hydrogen bond in the S1 state would lead to a luminescence decreasing phenomenon of [Zn2(H2L)(2,2′-bpy)2(H2O)]n, and the fluorescent rate constant of [Zn2(H2L)(2,2′-bpy)2(H2O)]n was decreased when encapsulating formaldehyde into it. Taken together, these results indicated that [Zn2(H2L)(2,2′-bpy)2(H2O)]n could be used for the detection of formaldehyde.",

author = "Zhengyan Zhao and Juanyuan Hao and Xuedan Song and Suzhen Ren and Ce Hao",

note = "Publisher Copyright: {\textcopyright} The Royal Society of Chemistry 2015.",

year = "2015",

doi = "10.1039/c5ra07373a",

language = "英语",

volume = "5",

pages = "49752--49758",

journal = "RSC Advances",

issn = "2046-2069",

publisher = "Royal Society of Chemistry",

number = "61",

}

TY - JOUR

T1 - A sensor for formaldehyde detection

T2 - Luminescent metal-organic framework [Zn2(H2L)(2,2′-bpy)2(H2O)]n

AU - Zhao, Zhengyan

AU - Hao, Juanyuan

AU - Song, Xuedan

AU - Ren, Suzhen

AU - Hao, Ce

PY - 2015

Y1 - 2015

N2 - Density functional theory and time-dependent density functional theory methods have been used to investigate the hydrogen bonding between the Metal-organic framework [Zn2(H2L)(2,2′-bpy)2(H2O)]n and formaldehyde in the electronically excited state. The calculated geometric configuration, 1H NMR chemical shift and IR spectra of the hydrogen-bonded complex demonstrated that the hydrogen bond was strengthened in the excited state S1. The strengthening of the hydrogen bond in the S1 state would lead to a luminescence decreasing phenomenon of [Zn2(H2L)(2,2′-bpy)2(H2O)]n, and the fluorescent rate constant of [Zn2(H2L)(2,2′-bpy)2(H2O)]n was decreased when encapsulating formaldehyde into it. Taken together, these results indicated that [Zn2(H2L)(2,2′-bpy)2(H2O)]n could be used for the detection of formaldehyde.

AB - Density functional theory and time-dependent density functional theory methods have been used to investigate the hydrogen bonding between the Metal-organic framework [Zn2(H2L)(2,2′-bpy)2(H2O)]n and formaldehyde in the electronically excited state. The calculated geometric configuration, 1H NMR chemical shift and IR spectra of the hydrogen-bonded complex demonstrated that the hydrogen bond was strengthened in the excited state S1. The strengthening of the hydrogen bond in the S1 state would lead to a luminescence decreasing phenomenon of [Zn2(H2L)(2,2′-bpy)2(H2O)]n, and the fluorescent rate constant of [Zn2(H2L)(2,2′-bpy)2(H2O)]n was decreased when encapsulating formaldehyde into it. Taken together, these results indicated that [Zn2(H2L)(2,2′-bpy)2(H2O)]n could be used for the detection of formaldehyde.

UR - https://www.scopus.com/pages/publications/84930960210

U2 - 10.1039/c5ra07373a

DO - 10.1039/c5ra07373a

M3 - 文章

AN - SCOPUS:84930960210

SN - 2046-2069

VL - 5

SP - 49752

EP - 49758

JO - RSC Advances

JF - RSC Advances

IS - 61

ER -

A sensor for formaldehyde detection: Luminescent metal-organic framework [Zn₂(H₂L)(2,2′-bpy)₂(H₂O)]_n

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