High throughput chirped pulse Fourier-transform microwave spectroscopy of ethanol and water clusters

被引：4

作者：

Dutton, S. E. ^{[1
]}

Blake, G. A. ^{[1
]}

机构：

[1] CALTECH, Div Chem & Chem Engn, 1200 E Calif Blvd, Pasadena, CA 91125 USA

来源：

PHYSICAL CHEMISTRY CHEMICAL PHYSICS | 2022年 / 24卷 / 22期

基金：

美国国家科学基金会;

关键词：

Chirped-pulse fourier transform microwave spectroscopies - Energy conformers - Ethanol cluster - High-throughput - Lower energies - Performance - Rotational constants - Spectra's - Water cluster - Water-ethanol;

D O I：

10.1039/d2cp01055k

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：

Here we discuss the design and performance of a novel high-throughput instrument for Chirped Pulse Fourier-transform Microwave (CP-FTMW) spectroscopy, and demonstrate its efficacy through the identification of the lowest energy conformers of the ethanol trimer and mixed water : ethanol trimers. Rotational constants for these trimers were calculated from observed lines in the spectra from 10 to 14 GHz, and compared to the results of anharmonic ab initio computations. As predicted, all trimers share a cyclic donor-acceptor hydrogen bonding structure, with the ethanol monomer favoring the gauche conformation in the lowest energy structures. The increased speed of data collection and resulting sensitivity opens a new avenue into rotational studies of higher order clusters.

引用

页码：13831 / 13838

页数：8

共 29 条

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