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. 2020 Aug 14;5(33):21271–21287. doi: 10.1021/acsomega.0c03237

Table 4. Polarization of σ-Bonds W–X and Hybridization at Atom X from the NBO Analysis of the Complexes W-XY (X = Ge, Sn, Pb; Y = B–Tl) at the BP86/def2-TZVPP//BP86/def2-SVP Level.

  polarization W–X
hybridization
complex % (W) % (X) %s (X) %p (X )
W-GeB 35.4 64.6 40.8 59.2
W-GeAl 39.0 61.0 10.4 88.5
W-GeGa 40.3 59.7 13.3 86.2
W-GeIn 43.8 56.2 15.7 83.9
W-GeTl 46.9 53.1 17.1 82.6
W-SnB 36.8 63.2 43.3 56.3
W-SnAl 44.7 55.3 9.4 89.5
W-SnGa 46.1 53.9 11.4 88.3
W-SnIn 48.7 51.3 11.7 88.0
W-SnTl 54.6 45.4 12.3 87.3
W-PbB 38.7 61.3 37.8 61.8
W-PbAl 45.6 54.4 7.8 91.6
W-PbGa 47.2 52.8 8.6 91.1
W-PbIn 48.4 51.6 9.3 90.3
W-PbTl 56.2 43.8 11.4 88.2