Ballistic Energy Transport via Long Alkyl Chains: A New Initiation Mechanism

被引：0

作者：

Nawagamuwage, Sithara U. ^{[1
]}

Williams, Elliot S. ^{[1
]}

Islam, Md Muhaiminul ^{[1
]}

Parshin, Igor V. ^{[1
]}

Burin, Alexander L. ^{[1
]}

Busschaert, Nathalie ^{[1
]}

Rubtsov, Igor V. ^{[1
]}

机构：

[1] Tulane Univ, Dept Chem, New Orleans, LA 70118 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY B | 2024年 / 128卷 / 36期

基金：

美国国家科学基金会;

关键词：

VIBRATIONAL-ENERGY; THERMAL CONDUCTANCE; REDISTRIBUTION; SPECTROSCOPY; OLIGOMERS; MOLECULES; FLOW;

D O I：

10.1021/acs.jpcb.4c03386

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

In an effort to increase the speed and efficiency of ballistic energy transport via oligomeric chains, we performed measurements of the transport in compounds featuring long alkyl chains of up to 37 methylene units. Compounds of the N-3-(CH2) n -COOMe type (denoted as aznME) were synthesized with n = 5, 10, 15, 19, 28, 37 and studied using relaxation-assisted two-dimensional infrared spectroscopy. The speed of the ballistic transport, initiated by the N-3 tag excitation, increased ca. 3-fold for the longer chains (n = 19-37) compared to the shorter chains, from 14.7 to 48 & Aring;/ps, in line with an earlier prediction (Nawagamuwage et al. 2021, J. Phys. Chem. B, 125, 7546). Modeling, based on solving numerically the Liouville equation, was capable of reproducing the experimental data only if three wave packets are included, involving CH2 twisting (T-w), wagging (W), and rocking (Ro) chain bands. The approaches for designing molecular systems featuring a higher speed and efficiency of energy transport are discussed.

引用

页码：8788 / 8796

页数：9