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, 2018 at 10:00am to 12:00pm

Regents Hall, 451
3700 O St. NW

Event Type

Academic Events, Dissertation Defense


Georgetown College, Chemistry, Graduate School of Arts and Sciences



Open to the public and the press?


Event Contact Name

Muhammad Itani

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