PMID- 32216256
OWN - NLM
STAT- PubMed-not-MEDLINE
LR  - 20200416
IS  - 1944-8252 (Electronic)
IS  - 1944-8244 (Linking)
VI  - 12
IP  - 15
DP  - 2020 Apr 15
TI  - Atomically Precise Structure Determination of Porous Organic Cage from Ab Initio 
      PXRD Structure Analysis: Its Molecular Click Postfunctionalization and CO(2) 
      Capture Application.
PG  - 17815-17823
LID - 10.1021/acsami.0c00648 [doi]
AB  - A novel porous organic cage (POC) was prepared via condensation reaction between 
      1,3,5-triformylbenzene (TFB) and (1R,2R)-4-cyclohexene-1,2-diamine (CHEDA). This 
      POC could pack in either an amorphous structure or a crystalline one. Atomically 
      precise structure determination of POC was achieved through ab initio powder 
      X-ray diffraction (PXRD) structure analysis in the chiral trigonal space group 
      R3. The same atomically precise structure determination of POC from 
      single-crystal X-ray diffraction (SXRD) structure analysis could be obtained 
      independently with a slight difference in cell parameter, indicating that the 
      refinement method through ab initio PXRD structure analysis is reliable and may 
      serve as an essential method for atomically precise structure determination. The 
      cage could adsorb up to 8 mmol/g CO(2) at 298 K and 1 bar. Furthermore, 
      1-thioglycerol and 1-octadecanethiol were chosen to prove that postmodification 
      of this POC was flexible. After post-synthetic modification (PSM) via highly 
      efficient photoinitiated thiol-ene click reaction, the products still kept porous 
      with relatively higher special surface area (337 m(2)/g of 5T and 156 m(2)/g of 
      5O) than mostly reported cages via the reduced-amine approach.
FAU - Li, Ya
AU  - Li Y
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
AD  - Key Laboratory of Synthetic and Natural Function Molecule Chemistry of Ministry 
      of Education, College of Chemistry and Materials Science, Northwest University, 
      Xi'an 710069, China.
FAU - Wang, Hongwei
AU  - Wang H
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
AD  - State Key Laboratory Cultivation Base, Shandong Provincial Key Laboratory of 
      Ophthalmology, Shandong Eye Institute, Shandong First Medical University & 
      Shandong Academy of Medical Sciences, Qingdao 266071, China.
FAU - Wang, Chang
AU  - Wang C
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
FAU - Xu, Junwen
AU  - Xu J
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
AD  - University of Chinese Academy of Sciences, Beijing 100049, China.
FAU - Ma, Shujuan
AU  - Ma S
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
AD  - Key Laboratory of Synthetic and Natural Function Molecule Chemistry of Ministry 
      of Education, College of Chemistry and Materials Science, Northwest University, 
      Xi'an 710069, China.
FAU - Ou, Junjie
AU  - Ou J
AUID- ORCID: 0000-0002-1672-6119
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
AD  - University of Chinese Academy of Sciences, Beijing 100049, China.
FAU - Zhang, Jiangwei
AU  - Zhang J
AUID- ORCID: 0000-0002-1221-3033
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
FAU - Li, Gao
AU  - Li G
AUID- ORCID: 0000-0001-6649-5796
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
FAU - Wei, Yinmao
AU  - Wei Y
AD  - Key Laboratory of Synthetic and Natural Function Molecule Chemistry of Ministry 
      of Education, College of Chemistry and Materials Science, Northwest University, 
      Xi'an 710069, China.
FAU - Ye, Mingliang
AU  - Ye M
AUID- ORCID: 0000-0002-5872-9326
AD  - CAS Key Laboratory of Separation Science for Analytical Chemistry, Dalian 
      Institute of Chemical Physics, Chinese Academy of Sciences, Dalian 116023, China.
LA  - eng
PT  - Journal Article
DEP - 20200403
PL  - United States
TA  - ACS Appl Mater Interfaces
JT  - ACS applied materials & interfaces
JID - 101504991
SB  - IM
OTO - NOTNLM
OT  - ab initio powder X-ray diffraction (PXRD)
OT  - chiral diamine
OT  - porous organic cage
OT  - post-synthetic modification (PSM)
OT  - single-crystal X-ray diffraction (SXRD)
EDAT- 2020/03/29 06:00
MHDA- 2020/03/29 06:01
CRDT- 2020/03/29 06:00
PHST- 2020/03/29 06:00 [pubmed]
PHST- 2020/03/29 06:01 [medline]
PHST- 2020/03/29 06:00 [entrez]
AID - 10.1021/acsami.0c00648 [doi]
PST - ppublish
SO  - ACS Appl Mater Interfaces. 2020 Apr 15;12(15):17815-17823. doi: 
      10.1021/acsami.0c00648. Epub 2020 Apr 3.