Alkali Cation Chelation in Cold β-O-4 Tetralignol Complexes

被引：8

作者：

DeBlase, Andrew F. ^{[1
]}

Dziekonski, Eric T. ^{[1
]}

Hopkins, John R. ^{[1
,2
]}

Burke, Nicole L. ^{[1
,3
]}

Sheng, Huaming ^{[1
,4
]}

Kenttamaa, Hilkka I. ^{[1
]}

McLuckey, Scott A. ^{[1
]}

Zwier, Timothy S. ^{[1
]}

机构：

[1] Purdue Univ, Dept Chem, W Lafayette, IN 47907 USA

[2] Inmatech Inc, 1600 Huron Pkwy, Ann Arbor, MI USA

[3] Kelloggs, 2 Hamblin Ave East, Battle Creek, MI 49017 USA

[4] Merck, 126 E Lincoln Ave, Rahway, NJ 07065 USA

来源：

JOURNAL OF PHYSICAL CHEMISTRY A | 2016年 / 120卷 / 36期

基金：

美国国家科学基金会;

关键词：

CONFORMATION-SPECIFIC SPECTROSCOPY; MASS-SPECTROMETRY; IR SPECTROSCOPY; ELECTROSPRAY-IONIZATION; ELECTRONIC-SPECTRA; MODEL COMPOUNDS; KRAFT LIGNIN; UV; PERFORMANCE;

D O I：

10.1021/acs.jpca.6b06942

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 employ cold ion spectroscopy (UV action and IR-UV double resonance) in the gas phase to unravel the qualitative structural elements of G-type alkali metal cationized (X = Li+, Na+, K+) tetralignol complexes connected by beta-O-4 linkages. The conformation-specific spectroscopy reveals a variety of conformers, each containing distinct infrared spectra in the OH stretching region, building on recent studies of the neutral and alkali metal cationized beta-O-4 dimers. The alkali metal ion is discovered to bind in penta-coordinate pockets to ether and OH groups involving at least two of the three beta-O-4 linkages. Different binding sites are distinguished from one another by the number of M+center dot center dot center dot OH center dot center dot center dot O interactions present in the binding pocket, leading to characteristic IR transitions appearing below 3550 cm(-1). This interaction is mitigated in the major conformer of the K+ adduct, demonstrating a clear impact of the size of the charge center on the three-dimensional structure of the tetramer.

引用

页码：7152 / 7166

页数：15

共 53 条

[1] Electronic Spectra of the Protonated Indole Chromophore in the Gas Phase [J].