초록문의 abstract@kcsnet.or.kr

결제문의 member@kcsnet.or.kr

현재 가능한 작업은 아래와 같습니다.
  • 02월 19일 10시 이후 : 초록수정 불가능, 일정확인 및 검색만 가능

제121회 대한화학회 학술발표회, 총회 및 기기전시회 안내 Study on Flexible Behavior of MOFs having Different Functional Groups upon CO2 Adsorption

2018년 2월 7일 15시 43분 25초
INOR.P-169 이곳을 클릭하시면 발표코드에 대한 설명을 보실 수 있습니다.
4월 19일 (목요일) 11:00~12:30
Inorganic Chemistry
저자 및
SONG HO LEE, Sungeun Jeoung, Hoi Ri Moon*
Department of Chemistry, Ulsan National Institute of Science and Technology, Korea

Flexible metal-organic frameworks (MOFs) are considered as fascinating materials due to their unique characteristics which have dynamic pore system and reversible structural transition upon external stimuli. The flexibility originated from breathing, swelling, linker rotation, and subnetwork displacement are useful to gas storage, separation, and sensing applications because it is led by selective adsorption of specific molecules via host-guest interaction. Thus, rational design of flexible MOFs is very intriguing research to bring selectivity and specificity to MOFs. In this works, five kinds of flexible MOFs, denoted flexMOF(CH3), flexMOF(CH2), flexMOF(CN)-I, flexMOF(CN)-II, and flexMOF(OH), are successfully synthesized by using macrocycle containing different types of dangling functional groups and H4BPTC ligand including many rotational sites. Those flexible MOFs show different sorption behaviors, gate-opening and breathing phenomenon triggered by CO2 molecules depending on the functional groups. To elucidate those different flexible behaviors, we analyzed the single-crystal diffraction (SCD) data and calculated the rotational energies and interaction sites with regard to functional groups through computational simulations.