scholarly journals Sequential Design of Adsorption Simulations in Metal-Organic Frameworks

Author(s):  
Krishnendu Mukherjee ◽  
Alexander William Dowling ◽  
Yamil J Colon

The large number of possible structures of metal-organic frameworks (MOFs) and their limitless potential applications has motivated molecular modelers and researchers to develop methods and models to efficiently assess MOF...

2019 ◽  
Author(s):  
javier enriquez ◽  
Ignacio Chi-Duran ◽  
Carolina Manquian ◽  
Felipe Herrera ◽  
Ruben Fritz ◽  
...  

Non-centrosymmetric single-crystal metal-organic frameworks (MOF) are promising candidates for phase-matched nonlinear optical communication, but typical hydrothermal synthesis produces small crystals with relatively low transmittance and poor phase matching. We study the effect of the metal-to-ligand molar ratio and reaction pH on the hydro-thermal synthesis of the non-centrosymmetric Zn(3-ptz)<sub>2</sub> and Zn(OH)(3-ptz) MOFs with <i>in-situ </i>ligand formation. In acidic environments, we find that decreasing the amount of ligand below the stoichiometric molar ratio 1:2 also produces highly transparent single-crystal octahedrons of <b>Zn(3-ptz)<sub>2</sub></b>. In alkaline environments, we obtain long rod-like <b>Zn(OH)(3-ptz) </b>crystals whose length exceeds previous reports by up to four orders of magnitude. Potential applications of these results in the development of MOF-based nonlinear optical devices are discussed.


Author(s):  
Ayushi Singh ◽  
Ashish Kumar Singh ◽  
Jian-Qiang Liu ◽  
Abhinav Kumar

Metal-organic frameworks (MOFs) or coordination polymers (CPs) are regarded as new variety of materials that find potential applications in plethora of areas such as gas/small molecule absorption/separation, gas storage, membranes...


2009 ◽  
Vol 253 (23-24) ◽  
pp. 3042-3066 ◽  
Author(s):  
Ryan J. Kuppler ◽  
Daren J. Timmons ◽  
Qian-Rong Fang ◽  
Jian-Rong Li ◽  
Trevor A. Makal ◽  
...  

Author(s):  
Ryuichi Murase ◽  
Bowen Ding ◽  
Qinyi Gu ◽  
Deanna M. D'Alessandro

Electroactive and conducting framework materials, encompassing coordination polymers and metal–organic frameworks, have captured the imagination of the scientific community owing to their highly designable nanoporous structures and their potential applications in electrochromic devices, electrocatalysts, porous conductors, batteries and solar energy harvesting systems, among many others. While they are now considered integral members of the broader field of inorganic materials, it is timely to reflect upon their strengths and challenges compared with ‘traditional’ solid-state materials such as minerals, pigments and zeolites. Indeed, the latter have been known since ancient times and have been prized for centuries in fields as diverse as art, archaeology and industrial catalysis. This opinion piece considers a brief historical perspective of traditional electroactive and conducting inorganic materials, with a view towards very recent experimental progress and new directions for future progress in the burgeoning area of coordination polymers and metal–organic frameworks. Overall, this article bears testament to the rich history of electroactive solids and looks at the challenges inspiring a new generation of scientists. This article is part of the theme issue ‘Mineralomimesis: natural and synthetic frameworks in science and technology’.


Author(s):  
Feijie Song ◽  
Teng Zhang ◽  
Cheng Wang ◽  
Wenbin Lin

Metal-organic frameworks (MOFs) are a class of organic–inorganic hybrid materials built from metal-connecting nodes and organic-bridging ligands. They have received much attention in recent years owing to the ability to tune their properties for potential applications in various areas. Properly designed MOFs with uniform, periodically aligned active sites have shown great promise in catalysing shape-, size-, chemo-, regio- and stereo-selective organic transformations. This study reports the synthesis and characterization of two chiral MOFs (CMOFs 1 and 2 ) that are constructed from Mn-salen-derived dicarboxylic acids [salen is ( R , R )- N , N ′-bis(5- tert -butylsalicylidene)-1,2-cyclohexanediamine], bis(4-vinylbenzoic acid)-salen manganese(III) chloride (H 2 L 4 ) or bis(benzoic acid)-salen manganese(III) chloride (H 2 L 3 ) and [Zn 4 (μ 4 -O)(O 2 CR) 6 ] or [Zn 5 (H 2 O) 2 (μ 3 -OH) 2 (O 2 CR) 8 ] secondary building units (SBUs), respectively. The SBUs in CMOF- 1 are connected by the linear ditopic Mn-salen-derived linkers to construct a fourfold interpenetrated isoreticular MOF (IRMOF) structure with pcu topology. In CMOF- 2 , the Mn-salen centres dimerize in a cross-linking way to form a diamondoid structure with threefold interpenetration. CMOF- 1 was examined for highly regio- and stereo-selective tandem alkene epoxidation/epoxide ring-opening reactions by using the Mn-salen andZn 4 (μ 4 -O)(carboxylate) 6 active sites, respectively. Our work demonstrated the potential utility of chiral MOFs with multiple active sites in the efficient synthesis of complex molecules with excellent regio- and stereo-controls


Small ◽  
2020 ◽  
pp. 2005165
Author(s):  
Shikai Xian ◽  
Yuhan Lin ◽  
Hao Wang ◽  
Jing Li

Nanoscale ◽  
2020 ◽  
Vol 12 (21) ◽  
pp. 11582-11592
Author(s):  
Lei Shi ◽  
Ailing Li ◽  
Weiwei Zhang ◽  
Haishan Wu ◽  
Yuwu Chi

Chloroplasts (CHs) are endowed with artificial “cell walls” using MOFs. The obtained CH@ZIF-8 biohybrids not only maintain good photosynthetic activity but also exhibit excellent stability, and have potential applications in living artificial trees.


Sign in / Sign up

Export Citation Format

Share Document