Journal of Solid State Physics / 2013 / Article / Tab 2

Research Article

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

Table 2

Orbital occupations and net charge.

Atom Charge

Cl1.7768a0.9422a0.9907a1.0210a+2.2692a
1.8612b1.7473b1.9174b1.8722b−0.3982b
Pt0.4043a0.2285a0.1692a0.1824a0.0693a0.0698a0.2711a0.3358a0.0937a+8.1759a
0.6591b0.3367b0.2133b0.3421b1.8970b1.9930b1.6842b1.0725b1.9481b−0.1459b
H0.5729a+0.4271a
0.5770b+0.4230b
O1.6225a1.6688a1.7906a1.7730a−0.8548a
1.6203b1.7708b1.7888b1.7728b−0.9527b
Si0.5596a0.3472a0.3426a0.3458a+2.3648a
0.5994b0.3488b0.3432b0.3469b+2.3617b

cis-[PtCl2(NH3)2]/silica system.
Bare silica or isolated cisplatin.