First Principles Studies of Cis-Trans Photoisomerization Dynamics and Excited States in Ethylene, Stilbene, Azobenzene and TATB

In principle, the energy required for electronic excitation may also arise from collisions with one or more nearby molecules. One might suggest an importance of electronic excitation in chemical processes at high temperatures and pressures, such as detonation. This possibility was tested in solid 1,3,5-triamino-2,4,6-trinitrobenzene (TATB) by comparing the pressures required for metalization and detonation. Our results indicate that solid TATB detonates at lower pressures than those required for metalization.

Name thesis:degree_name

Ph.D.

Level thesis:degree_level

Dissertation

Discipline thesis:degree_discipline

Chemistry

Grantor

University of Illinois at Urbana-Champaign

Year dc:date

2015

Author dc:creator

• Quenneville, Jason Mahoney

Contributors dc:contributor

• Martinez, Todd J.

• Physics, Molecular

Language dc:language

eng

Identifier

(MiAaPQ)AAI3086162

OAI identifier oai:identifier

oai:www.ideals.illinois.edu:2142/84105