TABLE 5.

Average contact distances (Å) and angles for KDFTFSI and KTFSI crystalline models as obtained by DFT calculations.

Compound	KDFTFSI–trans (cis)	KTFSI– trans (cis)
N‒S (Å)	1.592 (1.601)	1.591 (1.592)
S‒O (Å)	1.457 (1.457)	1.457 (1.460)
S‒C (Å)	1.880 (1.880)	1.880 (1.880)
C‒F (Å)	1.345 (1.352)	1.336 (1.336)
S‒N‒S (°)	128.7 (125.9)	129.3 (126.5)
N‒S‒O (°)	112.9 (111.8)	113.0 (111.8)
N‒S‒C (°)	101.0 (104.8)	101.5 (105.5)
O‒S‒O (°)	117.3 (116.8)	118.1 (117.2)
O‒S‒C (°)	105.3 (105.1)	104.6 (104.6)
S‒C‒F (°)	109.1 (109.5)	110.1 (109.6)
F‒C‒F (°)	109.0 (109.1)	109.1 (109.3)