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. 2024 Jan 19;4(2):512–524. doi: 10.1021/jacsau.3c00649

Table 1. Speciation of Complexes 15 Obtained by Treatment of 1 by n equiv of M(hmds) (M = Li, Na, K) under Various Conditions.

graphic file with name au3c00649_0009.jpg

entry M (n) t (h) T (°C) solventa light 1 2C6D5 3′ 3″ 4C6D5,D 5
1 Li (2) 72 20 C6D6 no 97 0 0 0 0 2
2 Na (2) 72 20 C6D6 no 0 0 40 7 5 4
3 K (2) 72 20 C6D6 no 5 0 10 20 4 7
4 Li (2) 72 20 C6D6 yes 5 0 0 0 40b 0
5 Na (2) 72 20 C6D6 yes 0 0 0 0 48b 2
6 K (2) 72 20 C6D6 yes 5 0 0 0 45b 5
7 Li (10) 22 20 C6D6/THF no 97 0 0 0 0 2
8 Na (10) 22 20 C6D6/THF no 0 7 16 8 5 3
9 K (10) 22 20 C6D6/THF no 0 0 8 4 3 10
10 Li (10) 22 80 C6D6/THF no 0c 0c 0c 0c 0c 18c
0d 0d 0d 0d 38b,d 15b,d
11 Na (10) 22 80 C6D6/THF no 0 0 12 13 0 0
12 K (10) 22 80 C6D6/THF no 0 0 7 5 0 2
a

Neat C6D6 or a 9:1 mixture of C6D6/THF were used.

b

Mixture of cis:trans-4C6D5,D in a ca. 4:3 ratio.

c

Spectra recorded after cooling down the samples at room temperature during 1 h.

d

Spectra recorded after 10 additional hours at room temperature.