IRMPD Spectroscopy of Homo- and Heterochiral Asparagine Proton-Bound Dimers in the Gas Phase

被引：4

作者：

Andersson, Ake ^{[1
]}

Poline, Mathias ^{[2
]}

Houthuijs, Kas J. ^{[3
]}

van Outersterp, Rianne E. ^{[3
]}

Berden, Giel ^{[3
]}

Oomens, Jos ^{[3
]}

Zhaunerchyk, Vitali ^{[1
]}

机构：

[1] Univ Gothenburg, Dept Phys, S-41296 Gothenburg, Sweden

[2] Stockholm Univ, Dept Phys, S-10691 Stockholm, Sweden

[3] Radboud Univ Nijmegen, Inst Mol & Mat, FELIX Lab, NL-6525 ED Nijmegen, Netherlands

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2021年 / 125卷 / 34期

基金：

瑞典研究理事会;

关键词：

INFRARED PHOTODISSOCIATION; STABILITY; CHARGE; SITE;

D O I：

10.1021/acs.jpca.1c05667

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：

We investigate gas-phase structures of homo- and heterochiral asparagine proton-bound dimers with infrared multi-photon dissociation (IRMPD) spectroscopy and quantum-chemical calculations. Their IRMPD spectra are recorded at room temperature in the range of 500-1875 and 3000-3600 cm(-1). Both varieties of asparagine dimers are found to be charge-solvated based on their IRMPD spectra. The location of the principal intramolecular H-bond is discussed in light of harmonic frequency analyses using the B3LYP functional with GD3BJ empirical dispersion. Contrary to theoretical analyses, the two spectra are very similar.

引用

页码：7449 / 7456

页数：8

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