Theoretical Studies on Structures and Electronic State of Alkyl-Substituted Ethyl Cations

Table 2

Calculated structural parameters for multisubstituted ethyl cations 1–11. Selected bond lengths are in angstrom (Å) and selected torsion angles in degrees (°).

Cation	Bond lengths (Å)				Torsion angles (°)
	C^1–C^2	R^1–C^1	C^2–R^3	C^2–R^5	C^1–C^2–R^3	R^1–C^1–C^2	R^1–C^1–R^2	C^1–C^2–R^5
1	1.39	1.09	1.31	1.09	58.1	120.5	119.1	120.5
2	1.42	1.09	1.11	1.11	106.3	120.1	116.8	106.3
3	1.44	1.44	1.12	1.09	97.9	125.3	117.4	114.1
4	1.46	1.46	1.11	1.09	102.7	119.5	120.7	113.8
5	1.41	1.09	1.58	1.58	109.4	118.1	120.0	109.4
6	1.40	1.09	1.31	1.49	58.0	116.5	118.5	124.8
7	1.40	1.49	1.32	1.09	57.4	126.9	117.4	115.5
8	1.41	1.48	1.66	1.08	76.2	124.1	118.2	118.8
9	1.45	1.47	1.60	1.09	96.8	121.2	118.7	110.5
10	1.42	1.50	1.32	1.50	57.2	122.4	115.1	122.5
11	1.45	1.48	1.62	1.53	92.6	121.2	116.5	116.8