The effect of furcated hydrogen bond and coordination bond on luminescent behavior of metal-organic framework [CuCN·EIN]: A TDDFT study

Author(s):  
Danyang Wu ◽  
Weihong Mi ◽  
Min Ji ◽  
Ce Hao ◽  
Jieshan Qiu
2021 ◽  
Author(s):  
Jinhee Bae ◽  
Sun Ho Park ◽  
Dohyun Moon ◽  
Nak Cheon Jeong

Abstract Hydrogen bond (H-bond) of water molecules confined in nanopores is of particular interest because it is expected to exhibit chemical features different from bulk water molecules due to its interaction with the wall lining the pores. Herein, we show a crystalline behavior of hydrogen-bonded water molecules residing in the nanocages of a paddlewheel metal-organic framework, providing in situ and ex situ synchrotron single-crystal X-ray diffraction and Raman spectroscopy studies. The crystalline H-bond is demonstrated by proving the vibrational chain connectivity arising between hydrogen bonding and paddlewheel Cu−Cu bonding in sequentially connected Cu–Cu⋅⋅⋅⋅⋅coordinating H2O⋅⋅⋅⋅⋅H-bonded H2O and proving the spatial ordering of H-bonded water molecules at room temperature, where they are anticipated to be disordered with a high degree of freedom in their molecular motions. Additionally, we show a substantial distortion of the paddlewheel Cu2+ centers that arises simultaneously with water coordination. Also, we suggest the dynamic coordination bond character of the H-bond of the confined water molecules, by which an H-bond transitions to a coordination bond at the Cu2+ center instantaneously after dissociating a previously coordinated water molecule.


2021 ◽  
Vol 9 (36) ◽  
pp. 12086-12093
Author(s):  
Junjie Wang ◽  
Yao Cheng ◽  
Jie Zhou ◽  
Weihua Tang

Zn(ii)-based MOF for detecting FOX-7 like explosives is designed via hydrogen-bond-intensified host–guest interactions. The crystalline MOF achieves 0.14 ppm detection limit and a highest fluorescence quenching constant of 3.22 × 104 M−1.


2020 ◽  
Vol 11 (1) ◽  
Author(s):  
Julia Oktawiec ◽  
Henry Z. H. Jiang ◽  
Jenny G. Vitillo ◽  
Douglas A. Reed ◽  
Lucy E. Darago ◽  
...  

ChemCatChem ◽  
2020 ◽  
Vol 12 (6) ◽  
pp. 1789-1798 ◽  
Author(s):  
Aniruddha Das ◽  
Nagaraj Anbu ◽  
Mostakim Sk ◽  
Amarajothi Dhakshinamoorthy ◽  
Shyam Biswas

2019 ◽  
Vol 5 (8) ◽  
pp. eaaw4515 ◽  
Author(s):  
Zizhu Yao ◽  
Liang Pan ◽  
Lizhen Liu ◽  
Jindan Zhang ◽  
Quanjie Lin ◽  
...  

Resistive random-access memory (RRAM) has evolved as one of the most promising candidates for the next-generation memory, but bistability for information storage, simultaneous implementation of resistive switching and rectification effects, and a better understanding of switching mechanism are still challenging in this field. Herein, we report a RRAM device based on a chiral metal-organic framework (MOF) FJU-23-H2O with switched hydrogen bond pathway within its channels, exhibiting an ultralow set voltage (~0.2 V), a high ON/OFF ratio (~105), and a high rectification ratio (~105). It is not only the first MOF with voltage-gated proton conduction but also the first single material showing both rectifying and resistive switching effects. By single-crystal x-ray diffraction analyses, the mechanism of the resistive switching has been demonstrated.


2019 ◽  
Author(s):  
Mohamed. A. Ali ◽  
Jinjun Ren ◽  
Xiaofeng Liu ◽  
Youjie Hua ◽  
Yuanzheng Yue ◽  
...  

<p>Metal-organic framework (MOF) glasses are a newly discovered family of melt-quenched glasses. However, so far it is not known whether these glasses exhibit photonic functionalities. Here, we show the discovery of the luminescent behavior of a MOF glass, i.e., the cobalt doped zeolitic imidazolate frameworks-62 (ZIF-62) glass (Zn<sub>1-<i>x</i></sub> Co<i><sub>x</sub></i> (Im)<sub>1.9</sub> (bIm)<sub>0.1</sub>, <i>x</i> = 0, 0.1 and 0.5), which was obtained by melt-quenching its corresponding ZIF-62 crystal. The synthesized crystal was precipitated in the form of spherical nano/micro-crystalline structure, which collapses structurally to form laminated glass with ultrahigh glass forming ability and the same short range molecular structure of the parent crystalline MOF. We observed the super-broadband mid-infrared (Mid-IR) luminescence (in the wavelength range of 1.5 µm – 4.8 µm) both in the crystalline and amorphous phases. The observed Mid-IR emission originates from d-d transition of Co<sup>2+</sup> ions that is protected by the strong Co-N coordination. The discovery of the luminescent glasses may pave the way towards new photonic applications of bulk MOF glasses, such as Mid-IR lasers. </p>


ACS Catalysis ◽  
2016 ◽  
Vol 6 (5) ◽  
pp. 3248-3252 ◽  
Author(s):  
Edward A. Hall ◽  
Louis R. Redfern ◽  
Michael H. Wang ◽  
Karl A. Scheidt

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