Study of Materials for Drugs Delivery: cis-[PtCl₂(NH₃)₂] Hydrolysis on Functionalized SiO₂(100) Surfaces

Table 2

Orbital occupations and net charge.

Atom	𝑠	𝑝𝑥	𝑝𝑦	𝑝𝑧	𝑑𝑥2−𝑦2	𝑑𝑧2	𝑑𝑥𝑦	𝑑𝑥𝑧	𝑑𝑦𝑧	Charge
Cl	1.7768^a	0.9422^a	0.9907^a	1.0210^a						+2.2692^a
	1.8612^b	1.7473^b	1.9174^b	1.8722^b						−0.3982^b
Pt	0.4043^a	0.2285^a	0.1692^a	0.1824^a	0.0693^a	0.0698^a	0.2711^a	0.3358^a	0.0937^a	+8.1759^a
	0.6591^b	0.3367^b	0.2133^b	0.3421^b	1.8970^b	1.9930^b	1.6842^b	1.0725^b	1.9481^b	−0.1459^b
H	0.5729^a									+0.4271^a
	0.5770^b									+0.4230^b
O	1.6225^a	1.6688^a	1.7906^a	1.7730^a						−0.8548^a
	1.6203^b	1.7708^b	1.7888^b	1.7728^b						−0.9527^b
Si	0.5596^a	0.3472^a	0.3426^a	0.3458^a						+2.3648^a
	0.5994^b	0.3488^b	0.3432^b	0.3469^b						+2.3617^b

acis-[PtCl₂(NH₃)₂]/silica system.
bBare silica or isolated cisplatin.