Dissertation Defense: Lili Qiu

Candidate Name: Lili Qiu

Major: Chemistry

Advisor: Miklos Kertesz, Ph.D.

Title: Unusual Carbon-Carbon Bonding in ?-Conjugated Cyclic Hydrocarbons by High Pressure and in Quinonoid Diradicals by Mild Stimuli

A series of [n]-Cycloparaphenylenes ([n]CPPs, n=5, 6, 7, 8, 9, 10 and 12) were subjected to ambient and high pressures and their in situ Raman spectra obtained. Density functional theory modeling provides fundamental interpretations of the spectral band shifts as a function of pressure. This thesis provides atomic level insights into the change of the aromatic vs quinonoid structures of the benzene-like rings and how, consequently, cyclic p-conjugation and intramolecular strain are modulated. The systematic geometric changes involve molecular flattening accompanied by changes of bond length alternation and inter-phenyl torsions. The presented analysis sheds light on the modification of ring-strain to respond to high pressure under the two different and prevalent crystal packing environments of [n]CPPs, either herringbone or tubular packing.

Tuesday, June 5 at 10:00am to 12:00pm

Regents Hall, 451
3700 O St. NW

Event Type

Academic Events, Dissertation Defense

Departments

Georgetown College, Chemistry, Graduate School of Arts and Sciences

Cost

Free

Open to the public and the press?

Yes

Event Contact Name

Muhammad Itani

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