Ha, Hyeonbin; Kim, Youngik; Kim, Dopil; Lee, Jihyun; Song, Yoodae; Kim, Suyeon; Park, Myung Hwan; Kim, Youngjo; Kim, Hyungjun; Yoon, Minyoung; Kim, Min published the artcile< Effect of the Metal within Regioisomeric Paddle-Wheel-Type Metal-Organic Frameworks>, Product Details of C4H4ClNO2, the main research area is transition metal DABCO terephthalate preparation gas adsorption calculated structure; crystal structure zinc cobalt amino chloro regioisomeric benzenedicarboxylate MOF; coordination polymers; flexibility; metal cation effect; metal-organic frameworks; regioselectivity.
The effect of metal on the degree of flexibility upon evacuation of metal-organic frameworks (MOFs) was revealed with positional control of the organic functionalities. Although Co-, Cu-, and Zn-based DMOFs (DMOF = DABCO MOF, DABCO = 1,4-diazabicyclo[2.2.2]octane) with terephthalate containing ortho-ligands (2,3-NH2Cl) have frameworks that are inflexible upon evacuation, MOFs with para-ligands (2,5-NH2Cl) showed different N2 uptake amounts after evacuation by metal exchange. Considering that the structural analyses were not fully sufficiently different to explain the drastic changes in N2 adsorption after evacuation, quantum chem. simulation was explored. A new index (η) was defined to quantify the regularity around the metal based on differences in the O-metal-O angles. Within 2,5-NH2Cl, the η value becomes larger as the metal are varied from Co to Zn. A large η value means that the structures around the metal center are less ordered. These results can be used to explain flexibility changes upon evacuation by altering the metal cation in this regioisomeric system.
Chemistry – A European Journal published new progress about Crystal structure. 128-09-6 belongs to class chlorides-buliding-blocks, and the molecular formula is C4H4ClNO2, Product Details of C4H4ClNO2.
Referemce:
Chloride – Wikipedia,
Chlorides – an overview | ScienceDirect Topics