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Table 1. Wormholes in Chemical Space connecting Torus Knot and Torus Link electron density topologies

System, symmetry Wormhole
connection		 Repository18
Handle 		≡ DataCite
DOI
Δra Load isosurfaceb NICS(rcp)c
1, C2 11 Torus knot +
02 Torus Link		 10042/to-811
10042/to-815		 10.14469/ch/786
10.14469/ch/790
0.046 ρ(r), ρ(r) d -12.9
4, X=F, C2 11 Torus knot +
02 Torus Link		 10042/to-800
10042/to-816		 10.14469/ch/775
10.14469/ch/791
0.108 ρ(r) -6.5
4, X=Cl, C2 11 Torus knot +
02 Torus Link		 10042/to-801 10.14469/ch/776
0.093 ρ(r) -1.8
4, X=Br, C2 11 Torus knot +
02 Torus Link		 10042/to-802 10.14469/ch/777
0.096 ρ(r) -0.8
5, C2 11 Torus knot +
02 Torus Link		 10042/to-822 10.14469/ch/797
0.069 ρ(r) -10.1
6, C2 11 Torus knot +
02 Torus Link		 10042/to-812
10042/to-818		 10.14469/ch/787
10.14469/ch/793
0.052 ρ(r) -11.7
7, C2 11 Torus knot +
22 Torus Link		 10042/to-809 10.14469/ch/784
0.122 ρ(r) -3.9
8, X=F, C2 11 Torus knot +
02 Torus Link		 10042/to-808
10042/to-817		 10.14469/ch/783
10.14469/ch/792
0.065 ρ(r) -3.2
8, X=Cl, C2 11 Torus knot +
02 Torus Link		 10042/to-813 10.14469/ch/788
0.046 ρ(r) -4.3
8, X=Br, C2 11 Torus knot +
02 Torus Link		 10042/to-814 10.14469/ch/789
0.047 ρ(r) -2.7
9, C2 11 Torus knot +
02 Torus Link		 10042/to-810 10.14469/ch/785
0.015 ρ(r) -10.0
11, X=F, C2 11 Torus knot +
22 Torus Link		 10042/to-826 10.14469/ch/801
0.103 ρ(r) -4.6
11, X=Cl, C2 11 Torus knot +
22 Torus Link		 10042/to-827 10.14469/ch/802
0.101 ρ(r) -3.0

aMaximum difference in C-C bond length (Å), not including C=C=C distances. bElectron density function evaluated using only ~π molecular orbitals, and contoured at 0.02 a.u. cNucleus independent chemical shift, evaluated at the position of the ring centroid obtained from an AIM analysis of ρ(r), in ppm. dEvaluated for ring fully substituted with H; all other systems are fully substituted with F.