Table 5.
Q0 | Si(OR)x(OH)4−x | ||||
x | |||||
4 | 3 | 2 | 1 | 0 | |
TMOS | −78.5 | −77.0 | −75.5 | −74.2 | −73.1 |
TEOS | −81.95 | −79.07 | −76.58 | −74.31 | - |
Q0 | Q1 | Q2 | Q3 | ||
TMOS | |||||
–OCH3 substituted | |||||
Monomer Q0 | −78.47 | - | |||
Dimer (Q1)2 | - | −85.81 | |||
Trimer Q1Q2Q1 | −85.99 | −93.69 | |||
Cyclic trimer (Q2)3 | −83.3 (possibly hydrolyzed) | ||||
Cyclic tetramer (Q2)4 | −92.9 | ||||
Linear tetramer Q1Q2Q2Q1 | −85.98 | −93.9 | |||
Branched tetramer Q1Q3Q1Q1 | −86.19 | −102.10 | |||
TEOS | |||||
–OC2H5 substituted | |||||
Monomer Q0 | −81.95 | ||||
Dimer (Q1)2 | −88.85 | ||||
Trimer Q1Q2Q1 | −88.99 | −96.22 |