FCB

Generation
Gen 1

In this mesogen page, we summarize the calculated Generation 1 (Reduced Charge Model) binding energy (in eV; 1 eV = 96.5 kJ/mol) related to 3-fluoro-4′-pentyl[1,1′-biphenyl]-4-carbonitrile (FCB) with the corresponding experimental results. Please note that we update the publicly available list of metal cations when new publication appears and/or patenting process is finished. Details of the computational and experimental procedures can be found here: 10.1038/ncomms13338. 

 

Mesogen Data Table
Cation Binding Energy Computational Method Experimental Anchoring Published References
Al(2+)
-17.48
CBS-QB3
N/A
Unpublished
10.1038/ncomms13338
Be(1+)
-3.49
CBS-QB3
N/A
Unpublished
10.1038/ncomms13338
Ca(1+)
-1.44
CBS-QB3
N/A
Unpublished
10.1038/ncomms13338
Co(1+)
-2.10
CBS-QB3
N/A
Unpublished
10.1038/ncomms13338
Co(2+)
-6.94
CBS-QB3
N/A
Published
10.1038/ncomms13338
Cr(2+)
-5.48
CBS-QB3
N/A
Published
10.1038/ncomms13338
Cu(1+)
-2.54
CBS-QB3
N/A
Published
10.1038/ncomms13338
Fe(1+)
-2.24
CBS-QB3
N/A
Published
10.1038/ncomms13338
Fe(2+)
-6.06
CBS-QB3
N/A
Published
10.1038/ncomms13338
Ga(2+)
-9.11
CBS-QB3
N/A
Published
10.1038/ncomms13338
Ge(1+)
-2.66
CBS-QB3
N/A
Published
10.1038/ncomms13338
Ge(3+)
-23.31
CBS-QB3
N/A
Published
10.1038/ncomms13338
Mg(1+)
-1.93
CBS-QB3
N/A
Published
10.1038/ncomms13338
Mn(1+)
-1.44
CBS-QB3
N/A
Published
10.1038/ncomms13338
Ni(1+)
-2.53
CBS-QB3
N/A
Published
10.1038/ncomms13338
Sc(2+)
-4.27
CBS-QB3
N/A
Published
10.1038/ncomms13338
Ti(2+)
-4.64
CBS-QB3
N/A
Published
10.1038/ncomms13338
Ti(3+)
-16.04
CBS-QB3
N/A
Published
10.1038/ncomms13338
V(1+)
-1.90
CBS-QB3
N/A
Published
10.1038/ncomms13338
V(2+)
-5.17
CBS-QB3
N/A
Published
10.1038/ncomms13338
V(3+)
-18.23
CBS-QB3
N/A
Published
10.1038/ncomms13338
V(4+)
-42.87
CBS-QB3
N/A
Published
10.1038/ncomms13338
Zn(1+)
-2.20
CBS-QB3
N/A
Published
10.1038/ncomms13338
Experimental Structures
Name
FCB
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