Non-covalent intermolecular forces play an important role in the reactions of complicated chemical systems. In this paper we show how such forces affect the reaction between 1,13-tetradecadiene and Si(111)7×7. Previous work has shown that one double bond reacts with the faulted half of the Si(111)7×7 and the other with the unfaulted half. However, since each half contains six adatoms, there is an additional degree of freedom in which the aliphatic chain can reside mostly above either half. We found a preference of the aliphatic chain to reside above the unfaulted half. This can be explained only as a result of different non-covalent intermolecular forces between the chain and each of the two halves. According to our calculations the difference in energy between the two halves on which an aliphatic chain is physisorbed is 30 kcal/molecule.
|Journal||Applied Physics A: Materials Science and Processing|
|Issue number||SUPPL. 1|
|State||Published - 1 Dec 1998|
ASJC Scopus subject areas
- Chemistry (all)
- Materials Science (all)