Discussion Overview
The discussion centers on the relationship between molecular size and the HOMO-LUMO gap, specifically comparing long versus short saturated and conjugated molecules. Participants explore whether larger molecules generally exhibit smaller gaps and the implications of this relationship in different molecular contexts.
Discussion Character
Main Points Raised
- One participant questions the generality of the claim that larger molecules have smaller HOMO-LUMO gaps, suggesting that if it were universally true, it would imply the existence of no insulators.
- Another participant argues that in chemistry, reliable generalities are often elusive, indicating skepticism about broad claims.
- A participant notes that in saturated molecules, the HOMO-LUMO gap is largely independent of system size, while in conjugated systems, the gap tends to decrease with increasing size. However, they also mention that larger conjugated molecules may experience new gaps due to Peierls instability.
Areas of Agreement / Disagreement
Participants express disagreement regarding the generality of the relationship between molecular size and HOMO-LUMO gaps, with no consensus reached on the validity of the initial claim.
Contextual Notes
Participants highlight the complexity of the relationship, noting that different types of molecules (saturated vs. conjugated) may behave differently regarding their HOMO-LUMO gaps, and that assumptions about size and stability may vary.