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. 2015 Aug 19;6(11):6235–6244. doi: 10.1039/c5sc02707a

Table 4. Calculated and experimental structural data for the E{N(SiMe3)2}2 (E = Ge, Sn, or Pb) monomers.

Ge{N(SiMe3)2}2
B3PW91 B3PW91-D3 B97-D3 GED a X-ray b
E–N (Å) 1.897 (avg.) 1.897 1.909 1.89(1) 1.875(3)
N–Si (Å) 1.778 (avg.) 1.765 (avg.) 1.780 (avg.) 1.743 (avg.) 1.752 (avg.)
N–E–N (°) 107.8 104.3 (avg.) 105.0 101(1.5) 107.1(4)
E–N–Si (°) 117.0 (avg.) 118.9 (avg.) 119.0 (avg.) 121.1 (avg.) 112.6(4)
124.9(5)
Sn{N(SiMe3)2}2
B3PW91 B3PW91-D3 B97-D3 GED b X-ray c
E–N (Å) 2.110 2.093 2.121 2.09 (avg.) 2.092(4)
(2.096, 2.088)
N–Si (Å) 1.765 (avg.) 1.755 (avg.) 1.769 (avg.) 1.74 1.742
N–E–N (°) 106.4 102.0 102.7 91.2 104.7(2)
E–N–Si (°) 118.3 (avg.) 118.9 (avg.) 118.8 (avg.) 117.3 112.71(4)
112.9(1)
Pb{N(SiMe3)2}2
B3PW91 B3PW91-D3 B97-D3 GED c X-ray c
E–N (Å) 2.251 2.222 2.241 2.20(2) 2.24(2) (avg.)
(2.260, 2.222)
N–Si (Å) 1.753 1.744 (avg.) 1.759 (avg.) 1.75 (avg.) 1.724 (avg.)
N–E–N (°) 106.5 101.3 101.8 91(2) 103.6(7)
E–N–Si (°) 117.9 (avg.) 118.5 118.5 119.6 (avg.) 112(1)
120.2(5)