Non-Equilibrium Isomer Distribution of the Gas-Phase Photoactive Yellow Protein Chromophore

被引：64

作者：

Almasian, Mitra ^{[1
,2
]}

Grzetic, Josipa ^{[2
]}

van Maurik, Johanne ^{[1
,2
]}

Steill, Jeffrey D. ^{[2
]}

Berden, Giel ^{[2
]}

Ingemann, Steen ^{[1
]}

Buma, Wybren Jan ^{[1
]}

Oomens, Jos ^{[1
,2
,3
]}

机构：

[1] Univ Amsterdam, vant Hoff Inst Mol Sci, NL-1098 XH Amsterdam, Netherlands

[2] FOM Inst Plasma Phys Rijnhuizen, NL-3439 MN Nieuwegein, Netherlands

[3] Radboud Univ Nijmegen, Inst Mol & Mat, NL-6525 AJ Nijmegen, Netherlands

来源：

JOURNAL OF PHYSICAL CHEMISTRY LETTERS | 2012年 / 3卷 / 16期

关键词：

P-COUMARIC ACID; PROTON-TRANSFER; ELECTRONIC-STRUCTURE; MASS-SPECTROMETRY; ABSORPTION; SPECTROSCOPY; ACIDITIES; SPECTRA; ANIONS; WATER;

D O I：

10.1021/jz300780t

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：

The conjugate base of para-coumaric acid, which can be conveniently generated in the gas phase by electrospray ionization (ESI), is a commonly used model system for the chromophore of the photoactive yellow protein. Here we report its gas phase IR spectrum, which shows that the anion easily adopts a carboxylate structure lying 60 kJ/mol higher in energy than the global minimum phenoxide structure. Generation of the biologically more relevant phenoxide isomer by ESI can be achieved using dry acetonitrile as solvent.

引用

页码：2259 / 2263

页数：5

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