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Structures, charge distributions, and dynamical properties of weakly bound complexes of aromatic molecules in their ground and electronically excited states.

kang, cheolhwa (2006) Structures, charge distributions, and dynamical properties of weakly bound complexes of aromatic molecules in their ground and electronically excited states. Doctoral Dissertation, University of Pittsburgh. (Unpublished)

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Abstract

Complexes or clusters are non-covalently bound assemblies of two or more molecules that are held together by hydrogen bonding, van der Waals interactions, and other weak forces. The derived values of the rotational constants can be used to determine the structures of such species, in both their ground and electronically excited states. Some species exhibit different structures in the two states, owing to photon-induced changes in their electronic distributions. Evidence for the motion of one species relative to another along some intermolecular coordinate also is observed in some cases. We describe the application of these techniques to nitrogen and water complexes of p-difluorobenzene and Ar and water complexes of indole and azaindole, as models of hydrophobic and hydrophilic interactions. These studies have provided detailed information about how the electronic charge distributions of the species interact, how the structures of the individual species are modified when they interact, and how the properties of the complex are different from its component parts.

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Details

Item Type: University of Pittsburgh ETD
Status: Unpublished
Creators/Authors:
CreatorsEmailPitt UsernameORCID
kang, cheolhwachkang@indiana.edu
ETD Committee:
TitleMemberEmail AddressPitt UsernameORCID
Committee ChairPratt, David Wpratt@pitt.eduPRATT
Committee MemberPetek, Hrvojepetek@pitt.eduPETEK
Committee MemberJordan, Kennethjordan@pitt.eduJORDAN
Committee MemberSaxena, Sunilsksaxena@pitt.eduSKSAXENA
Date: 20 March 2006
Date Type: Completion
Defense Date: 28 March 2005
Approval Date: 20 March 2006
Submission Date: 16 November 2005
Access Restriction: No restriction; Release the ETD for access worldwide immediately.
Institution: University of Pittsburgh
Schools and Programs: Dietrich School of Arts and Sciences > Chemistry
Degree: PhD - Doctor of Philosophy
Thesis Type: Doctoral Dissertation
Refereed: Yes
Uncontrolled Keywords: induced dipole moment; van der waals complexes
Other ID: http://etd.library.pitt.edu/ETD/available/etd-11162005-095624/, etd-11162005-095624
Date Deposited: 10 Nov 2011 20:04
Last Modified: 15 Nov 2016 13:51
URI: http://d-scholarship.pitt.edu/id/eprint/9684

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