PMID- 31674781
OWN - NLM
STAT- MEDLINE
DCOM- 20200921
LR  - 20200921
IS  - 1520-5126 (Electronic)
IS  - 0002-7863 (Linking)
VI  - 141
IP  - 47
DP  - 2019 Nov 27
TI  - Coordinative Alignment in the Pores of MOFs for the Structural Determination of 
      N-, S-, and P-Containing Organic Compounds Including Complex Chiral Molecules.
PG  - 18862-18869
LID - 10.1021/jacs.9b10501 [doi]
AB  - Coordinative alignment of target small molecules onto a chiral metal-organic 
      framework (MOF-520)provides a powerful method to determine the structures of 
      small molecules through single-crystal X-ray diffraction (SXRD). In this work, 
      the structures of 17 molecules with eight new coordinating functionalities and 
      varying size have been determined by this method, four of which are complex 
      molecules being crystallized for the first time. The chirality of the MOF 
      backbone not only enables enantioselective crystallization of chiral small 
      molecules from a racemic mixture but also imposes diastereoselective 
      incorporation upon achiral molecules. Crystallographic studies assisted by 
      density functional theory (DFT) calculations indicate that the stereoselectivity 
      of MOF-520 not exclusively comes from the steric confinement of the chiral pore 
      environment but also from asymmetric chemical bonding of the target molecules 
      with the framework that is able to provide sufficient energy difference between 
      possible coordination configurations.
FAU - Pei, Xiaokun
AU  - Pei X
AUID- ORCID: 0000-0002-6074-1463
AD  - Department of Chemistry, University of California-Berkeley; Materials Sciences 
      Division , Lawrence Berkeley National Laboratory; and Kavli Energy NanoSciences 
      Institute , Berkeley , California 94720 , United States.
FAU - Burgi, Hans-Beat
AU  - Burgi HB
AD  - Department of Chemistry and Biochemistry , Universitat Bern , Freiestrasse 3 , 
      CH-3012 Bern , Switzerland.
AD  - Department of Chemistry , University of Zurich , Winterthurestrasse 190 , CH-8057 
      Zurich , Switzerland.
FAU - Kapustin, Eugene A
AU  - Kapustin EA
AUID- ORCID: 0000-0003-4095-9729
AD  - Department of Chemistry, University of California-Berkeley; Materials Sciences 
      Division , Lawrence Berkeley National Laboratory; and Kavli Energy NanoSciences 
      Institute , Berkeley , California 94720 , United States.
FAU - Liu, Yuzhong
AU  - Liu Y
AUID- ORCID: 0000-0001-5614-1951
AD  - Department of Chemistry, University of California-Berkeley; Materials Sciences 
      Division , Lawrence Berkeley National Laboratory; and Kavli Energy NanoSciences 
      Institute , Berkeley , California 94720 , United States.
FAU - Yaghi, Omar M
AU  - Yaghi OM
AUID- ORCID: 0000-0002-5611-3325
AD  - Department of Chemistry, University of California-Berkeley; Materials Sciences 
      Division , Lawrence Berkeley National Laboratory; and Kavli Energy NanoSciences 
      Institute , Berkeley , California 94720 , United States.
AD  - UC Berkeley-KACST Joint Center of Excellence for Nanomaterials for Clean Energy 
      Applications , King Abdulaziz City for Science and Technology , Riyadh 11442 , 
      Saudi Arabia.
LA  - eng
GR  - S10 OD023532/OD/NIH HHS/United States
GR  - S10 OD024998/OD/NIH HHS/United States
PT  - Journal Article
PT  - Research Support, N.I.H., Extramural
PT  - Research Support, Non-U.S. Gov't
PT  - Research Support, U.S. Gov't, Non-P.H.S.
DEP - 20191114
PL  - United States
TA  - J Am Chem Soc
JT  - Journal of the American Chemical Society
JID - 7503056
RN  - 0 (Metal-Organic Frameworks)
RN  - 27YLU75U4W (Phosphorus)
RN  - 70FD1KFU70 (Sulfur)
RN  - N762921K75 (Nitrogen)
SB  - IM
MH  - Crystallography, X-Ray
MH  - Metal-Organic Frameworks/*chemistry
MH  - Models, Molecular
MH  - Molecular Conformation
MH  - Nitrogen/*chemistry
MH  - Phosphorus/*chemistry
MH  - Stereoisomerism
MH  - Sulfur/*chemistry
EDAT- 2019/11/02 06:00
MHDA- 2020/09/22 06:00
CRDT- 2019/11/02 06:00
PHST- 2019/11/02 06:00 [pubmed]
PHST- 2020/09/22 06:00 [medline]
PHST- 2019/11/02 06:00 [entrez]
AID - 10.1021/jacs.9b10501 [doi]
PST - ppublish
SO  - J Am Chem Soc. 2019 Nov 27;141(47):18862-18869. doi: 10.1021/jacs.9b10501. Epub 
      2019 Nov 14.