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Title: Structure of a monolayer of molecular rotors on aqueous subphase from grazing-incidence X-ray diffraction

Journal Article · · Proceedings of the National Academy of Sciences of the United States of America
 [1];  [2];  [3];  [3];  [4];  [1]
  1. Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry; Univ. of Colorado, Boulder, CO (United States). Dept. of Chemistry and Biochemistry
  2. Academy of Sciences of the Czech Republic, Prague (Czech Republic). Inst. of Organic Chemistry and Biochemistry
  3. Univ. of Colorado, Boulder, CO (United States). Dept. of Chemistry and Biochemistry
  4. Lawrence Berkeley National Lab. (LBNL), Berkeley, CA (United States). Advanced Light Source

In situ grazing-incidence X-ray scattering shows here that a monolayer of artificial rod-shaped dipolar molecular rotors produced on the surface of an aqueous subphase in a Langmuir trough has a structure conducive to a 2D ferroelectric phase. The axes of the rotors stand an average of 0.83 nm apart in a triangular grid, perpendicular to the surface within experimental error. They carry 2,3-dichlorophenylene rotators near rod centers, between two decks of interlocked triptycenes installed axially on the rotor axle. The analysis is based first on simultaneous fitting of observed Bragg rods and second on fitting the reflectivity curve with only three adjustable parameters and the calculated rotor electron density, which also revealed the presence of about seven molecules of water near each rotator. Dependent on preparation conditions, a minor and variable amount of a different crystal phase may also be present in the monolayer.

Research Organization:
Lawrence Berkeley National Laboratory (LBNL), Berkeley, CA (United States)
Sponsoring Organization:
USDOE Office of Science (SC); National Science Foundation (NSF); European Research Council (ERC); Academy of Sciences of the Czech Republic
Grant/Contract Number:
AC02-05CH11231; AC02-06CH11357; DMR 1608424; CHE-1346572; 227756; 61388963
OSTI ID:
1509677
Journal Information:
Proceedings of the National Academy of Sciences of the United States of America, Vol. 115, Issue 38; ISSN 0027-8424
Publisher:
National Academy of Sciences, Washington, DC (United States)Copyright Statement
Country of Publication:
United States
Language:
English

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Optically active triptycenes containing hexa- peri -hexabenzocoronene units journal January 2019
Synthesis of dipolar molecular rotors as linkers for metal-organic frameworks journal January 2019

Figures / Tables (7)