Mechanical properties of a metal–organic framework containing hydrogen-bonded bifluoride linkers

2013 ◽  
Vol 49 (40) ◽  
pp. 4471 ◽  
Author(s):  
Wei Li ◽  
M. S. R. N. Kiran ◽  
Jamie L. Manson ◽  
John A. Schlueter ◽  
A. Thirumurugan ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework ◽  
Hydrogen Bonded

Mechanical Properties of a Metal–Organic Framework formed by Covalent Cross-Linking of Metal–Organic Polyhedra

2018 ◽  
Vol 141 (2) ◽  
pp. 1045-1053 ◽  
Author(s):  
Garima Lal ◽  
Maziar Derakhshandeh ◽  
Farid Akhtar ◽  
Denis M. Spasyuk ◽  
Jian-Bin Lin ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Metal Organic Framework ◽  
Cross Linking ◽  
Metal Organic ◽  
Organic Framework

Mechanical properties of cubic zinc carboxylate IRMOF-1 metal-organic framework crystals

2007 ◽  
Vol 76 (18) ◽  
Author(s):  
D. F. Bahr ◽  
J. A. Reid ◽  
W. M. Mook ◽  
C. A. Bauer ◽  
R. Stumpf ◽  
...  
Keyword(s):  
Mechanical Properties ◽  
Metal Organic Framework ◽  
Metal Organic ◽  
Organic Framework

Theoretical Study on the Sensing Mechanism of Luminescent Metal-Organic Framework [Zn(3-tzba)(2,2′-bipy)(H2O)] · 3H2O for Formaldehyde Detection

2020 ◽  
Vol 17 (7) ◽  
pp. 2890-2896
Author(s):  
Yanhong Dong ◽  
Ning-Ning Wei ◽  
Liguo Gao ◽  
Juanyuan Hao ◽  
Dan Vasilescu ◽  
...  
Keyword(s):  
Density Functional Theory ◽  
Density Functional ◽  
Internal Conversion ◽  
Rate Coefficient ◽  
Metal Organic Framework ◽  
Functional Theory ◽  
Metal Organic ◽  
Luminescent Mechanism ◽  
Organic Framework ◽  
Hydrogen Bonded

The sensing mechanism of luminescent metal-organic framework [Zn(3-tzba)(2,2′-bipy)(H2O)] -3H2O for formaldehyde detection was explored by using density functional theory and time-dependent density functional theory methods. Our investigation found that luminescent metal-organic framework [Zn(3-tzba)(2,2′-bipy)(H2O)] • 3H2O is able to interact with formaldehyde through hydrogen bonding to the framework. The luminescent mechanism of the hydrogen-bonded complex is photo-induced electron transfer; while the luminescent mechanism of luminescent metal-organic framework [Zn(3-tzba)(2,2′-bipy)(H2O)]-3H2O is ligand-to-ligand charge transfer. The intermolecu-lar hydrogen bond was found to be stronger in the excited state than that in the ground state by analyzing the geometry nuclear magnetic resonance, binding energy and infrared spectrum in different electronic states. Calculated fluorescence radiative rate coefficient and internal conversion rate coefficient qualitatively indicated a reduced radiative process and an enhanced internal conversion process of the hydrogen-bonded complex. The hydrogen-bonded complex exhibits luminescence weakening or even quenching due to the enhancement of the intermolecular hydrogen bond in the excited state compare with luminescent metal-organic framework [Zn(3-tzba)(2,2′-bipy)(H2O)]-3H2O. The variable luminescence demonstrated the potential of luminescent metal-organic framework [Zn(3-tzba)(2,2′-bipy)(H2O)]-3H2O as luminescent sensor for formaldehyde detection.

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