東華大學圖書館 |

Language: English

Help

回圖書館首頁

手機版館藏查詢

Back

Switch To: Labeled | MARC Mode | ISBD

Investigating Molecular Interactions...

Kuhs, Christopher Thomas,

Linked to FindBook

Google Book

Amazon

博客來

Investigating Molecular Interactions Contributing to Self-Assembly on Ultrafast Time Scales with Two-Dimensional Infrared Spectroscopy /

Record Type:	Electronic resources : Monograph/item
Title/Author:	Investigating Molecular Interactions Contributing to Self-Assembly on Ultrafast Time Scales with Two-Dimensional Infrared Spectroscopy // Christopher Thomas Kuhs.
Author:	Kuhs, Christopher Thomas,
Description:	1 electronic resource (165 pages)
Notes:	Source: Dissertations Abstracts International, Volume: 81-09, Section: B.
Contained By:	Dissertations Abstracts International81-09B.
Subject:	Chemistry. -
Online resource:	https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=27541874
ISBN:	9781392646014

Investigating Molecular Interactions Contributing to Self-Assembly on Ultrafast Time Scales with Two-Dimensional Infrared Spectroscopy /
Kuhs, Christopher Thomas,

Investigating Molecular Interactions Contributing to Self-Assembly on Ultrafast Time Scales with Two-Dimensional Infrared Spectroscopy /Christopher Thomas Kuhs. - 1 electronic resource (165 pages)

Source: Dissertations Abstracts International, Volume: 81-09, Section: B.

Many chemical systems rely on π-π interactions to drive self-assembly. These systems range from peptides and proteins to polyaromatic hydrocarbons (PAH). There are a wide variety of chemical environments where π-π interactions are critically important. In such environments, factors such as sterics or the solvent surrounding these aromatic systems will affect the final aggregate. To elucidate the chemical structures and system dynamics that exist in these π stacking molecular structures, many researchers are turning their attention to examining molecular vibrations. Chemical vibrations are affected by molecular coupling, solvent environments, and aggregated state. By using infrared spectroscopy to monitor these vibrations, we can develop a molecular picture of these aggregated systems. Two-dimensional infrared (2D IR) spectroscopy provides additional information on the structure and dynamics of aggregated systems that cannot be gained from traditional linear infrared techniques. This thesis focuses on using 2D IR to study two aggregate systems. First, this thesis focuses on the self-assembly of phenylalanine based dipeptides. One of the primary goals of this work was to understand how the solvent interacts with the dipeptides, a factor critical for self-assembly. Using 2D IR and molecular dynamics simulations this work investigated how the primary structure of an aromatic dipeptide system, Val-Phe versus Phe-Val, affects the solvation dynamics around the dipeptide. It also explores the primary sequence influences hydrogen-bond dynamics. The second part of this work examines how the polarity of a solvent influences π-π stacking of PAH. Using 2D IR it was found that these solvent dependent structures have different degrees of vibrational energy delocalization. This suggests that the choice in solvent will influence the flow of energy though aggregated systems.

English

ISBN: 9781392646014Subjects--Topical Terms:

516420
Chemistry.
Subjects--Index Terms:

Infrared spectroscopy

Investigating Molecular Interactions Contributing to Self-Assembly on Ultrafast Time Scales with Two-Dimensional Infrared Spectroscopy /
LDR:03403nmm a22004093i 4500 001 2430586
005 20250527055711.5
006 m o d
007 cr|nu||||||||
008 261011s2019 miu||||||m |||||||eng d
020 $a 9781392646014
035 $a (MiAaPQD)AAI27541874
035 $a AAI27541874
040 $a MiAaPQD $b eng $c MiAaPQD $e rda
100 1 $a Kuhs, Christopher Thomas, $e author. $3 3818974
245 1 0 $a Investigating Molecular Interactions Contributing to Self-Assembly on Ultrafast Time Scales with Two-Dimensional Infrared Spectroscopy / $c Christopher Thomas Kuhs.
264 1 $a Ann Arbor : $b ProQuest Dissertations & Theses, $c 2019
300 $a 1 electronic resource (165 pages)
336 $a text $b txt $2 rdacontent
337 $a computer $b c $2 rdamedia
338 $a online resource $b cr $2 rdacarrier
500 $a Source: Dissertations Abstracts International, Volume: 81-09, Section: B.
500 $a Advisors: Krummel, Amber T. Committee members: McCullagh, Martin ; Sambur, Justin ; Ross, Kathryn .
502 $b Ph.D. $c Colorado State University $d 2019.
520 $a Many chemical systems rely on π-π interactions to drive self-assembly. These systems range from peptides and proteins to polyaromatic hydrocarbons (PAH). There are a wide variety of chemical environments where π-π interactions are critically important. In such environments, factors such as sterics or the solvent surrounding these aromatic systems will affect the final aggregate. To elucidate the chemical structures and system dynamics that exist in these π stacking molecular structures, many researchers are turning their attention to examining molecular vibrations. Chemical vibrations are affected by molecular coupling, solvent environments, and aggregated state. By using infrared spectroscopy to monitor these vibrations, we can develop a molecular picture of these aggregated systems. Two-dimensional infrared (2D IR) spectroscopy provides additional information on the structure and dynamics of aggregated systems that cannot be gained from traditional linear infrared techniques. This thesis focuses on using 2D IR to study two aggregate systems. First, this thesis focuses on the self-assembly of phenylalanine based dipeptides. One of the primary goals of this work was to understand how the solvent interacts with the dipeptides, a factor critical for self-assembly. Using 2D IR and molecular dynamics simulations this work investigated how the primary structure of an aromatic dipeptide system, Val-Phe versus Phe-Val, affects the solvation dynamics around the dipeptide. It also explores the primary sequence influences hydrogen-bond dynamics. The second part of this work examines how the polarity of a solvent influences π-π stacking of PAH. Using 2D IR it was found that these solvent dependent structures have different degrees of vibrational energy delocalization. This suggests that the choice in solvent will influence the flow of energy though aggregated systems.
546 $a English
590 $a School code: 0053
650 4 $a Chemistry. $3 516420
650 4 $a Physical chemistry. $3 1981412
653 $a Infrared spectroscopy
653 $a Molecular self-assembly
653 $a Two-dimensional infrared spectroscopy
653 $a Ultrafast spectroscopy
690 $a 0485
690 $a 0494
710 2 $a Colorado State University. $b Chemistry. $e degree granting institution. $3 3818975
720 1 $a Krummel, Amber T. $e degree supervisor.
773 0 $t Dissertations Abstracts International $g 81-09B.
790 $a 0053
791 $a Ph.D.
792 $a 2019
856 4 0 $u https://pqdd.sinica.edu.tw/twdaoapp/servlet/advanced?query=27541874