Table 3. NBO Analysis with Wiberg Bond Indices (WBI) and Natural Partial Charges (NPA) at the BP86/def2-TZVPP//BP86/def2-SVP Level for Complexes W-XY (X = Ge, Sn, Pb; Y = B–Tl)^a.

	W-XY							XY
complex	q [X]	q [Y]	q [W]	q [W(CO)]5	WBI (W–X)	WBI (X–Y)	WBI (Y–Y)	q [X]	q [Y]	WBI (X–Y)	WBI (Y–Y)
W-GeB	0.01	0.31	–1.80	–0.86	0.58	1.20	0.10	–0.02	0.10, 0.24	1.24, 1.67	0.20
W-GeAl	–0.50	1.17	–1.82	–0.76	0.59	1.22	0.25	–0.73	0.93	1.60	0.43
W-GeGa	0.11	0.92	–1.91	–0.79	0.68	1.04	0.18	–0.46	0.73	1.46	0.36
W-GeIn	0.02	0.94	–1.99	–0.78	0.84	0.83	0.20	–0.50	0.76	1.34	0.31
W-GeTl	0.15	0.80	–2.10	–0.80	0.98	0.42	0.11	–0.45	0.66	1.13	0.24
W-SnB	0.25	0.24	–1.84	–0.99	0.60	0.99	0.10	0.13	0.20	1.52	0.16
W-SnAl	–0.10	1.04	–1.89	–0.90	0.59	1.13	0.23	–0.47	0.81	1.53	0.44
W-SnGa	0.27	0.81	–1.99	–0.93	0.70	0.89	0.14	–0.24	0.63	1.33	0.33
W-SnIn	0.24	0.91	–2.05	–0.92	0.76	0.80	0.16	–0.33	0.72	1.24	0.28
W-SnTl	0.42	0.78	–2.17	–0.98	0.84	0.43	0.10	–0.30	0.61	1.06	0.20
W-PbB	0.27	0.24	–1.82	–1.03	0.55	0.88	0.10	0.13	0.20	1.50	0.13
W-PbAl	–0.01	1.02	–1.87	–0.91	0.57	1.10	0.19	–0.44	0.80	1.47	0.43
W-PbGa	0.33	0.80	–1.96	–0.96	0.66	0.81	0.10	–0.21	0.62	1.26	0.30
W-PbIn	0.30	0.90	–2.01	–0.93	0.74	0.72	0.13	–0.28	0.70	1.18	0.30
W-PbTl	0.48	0.78	–2.14	–1.01	0.81	0.40	0.10	–0.24	0.60	0.98	0.20

^aThe partial charges, q, are given in electrons [e].