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Figure 4:

Adsorption energy distribution calculated for a 200 m

2

/g silica and

hexylamine as IGC probe.

The high-energy peak can be assigned to the specific interaction of hexylamine with

silanol groups.

The existence of silanol groups at the silica surface have been proven by IR and NMR

spectroscopy, respectively [11, 12]. Fig. 5 reveals a typical DRIFT spectrum of

pyrogenic silica.

Figure 5:

DRIFT spectrum of pyrogenic silica in KBr.

The sharp peak at 3745 cm

-1

can be assign to isolated SiOH groups. The broad

resonance from ca. 3740 to ca. 3100 cm

-1

is caused by hydrogen bond coupled silanols.

The hydrogen bond can be formed between silanol and water molecules or between two

silanol groups close to each other, respectively, as depicted in fig.6.

4000

3000

2000

1000

0,0

0,2

0,4

0,6

0,8

1,0

cm

-1

111