Sökning: "Excited state aromaticity"
Hittade 4 avhandlingar innehållade orden Excited state aromaticity.
1. Ground and Excited State Aromaticity : Design Tools for π-Conjugated Functional Molecules and Materials
Sammanfattning : The main focus of this thesis is on the aromaticity of the ground state and electronically excited states of π-conjugated molecules and polymers, as well as how aromaticity is connected to their properties.The electronic structures of polybenzenoid hydrocarbons (PBHs) were explored through density functional theory (DFT) calculations and the π-component of the electron localization function (ELFπ). LÄS MER
2. Excited State Aromaticity and Antiaromaticity : Fundamental Studies and Applications
Sammanfattning : The central theme of this thesis is the ability to tune various molecular properties by controlling and utilizing aromaticity and antiaromaticity in the lowest electronically excited states. This investigation is based on qualitative theory, quantum chemical (QC) calculations and experimental work. LÄS MER
3. Influence of Aromaticity on Excited State Structure, Reactivity and Properties
Sammanfattning : This thesis describes work that could help development of new photochemical reactions and light-absorbing materials. Focus is on the chemical concept "aromaticity" which is a proven conceptual tool in developing thermal chemical reactions. It is here shown that aromaticity is also valuable for photochemistry. LÄS MER
4. Conjugation in Organic Group 14 Element Compounds : Design, Synthesis and Experimental Evaluation
Sammanfattning : This thesis focuses on the chemical concept of conjugation, i.e., electron delocalization, and the effect it has on electronic and optical properties of molecules. LÄS MER