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DeBlase AF, Dziekonski ET, Hopkins JR, et al. Alkali Cation Chelation in Cold β-O-4 Tetralignol Complexes. J Phys Chem A. 2016;120(36):7152-66doi: 10.1021/acs.jpca.6b06942.
DeBlase, A. F., Dziekonski, E. T., Hopkins, J. R., Burke, N. L., Sheng, H., Kenttämaa, H. I., McLuckey, S. A., & Zwier, T. S. (2016). Alkali Cation Chelation in Cold β-O-4 Tetralignol Complexes. The journal of physical chemistry. A, 120(36), 7152-66. https://doi.org/10.1021/acs.jpca.6b06942
DeBlase, Andrew F, et al. "Alkali Cation Chelation in Cold β-O-4 Tetralignol Complexes." The journal of physical chemistry. A vol. 120,36 (2016): 7152-66. doi: https://doi.org/10.1021/acs.jpca.6b06942
DeBlase AF, Dziekonski ET, Hopkins JR, Burke NL, Sheng H, Kenttämaa HI, McLuckey SA, Zwier TS. Alkali Cation Chelation in Cold β-O-4 Tetralignol Complexes. J Phys Chem A. 2016 Sep 15;120(36):7152-66. doi: 10.1021/acs.jpca.6b06942. Epub 2016 Aug 30. PMID: 27539533.
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J Phys Chem A. 2016 Sep 15;120(36):7152-66. doi: 10.1021/acs.jpca.6b06942. Epub 2016 Aug 30.

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

The journal of physical chemistry. A

Andrew F DeBlase, Eric T Dziekonski, John R Hopkins, Nicole L Burke, Huaming Sheng, Hilkka I Kenttämaa, Scott A McLuckey, Timothy S Zwier

Affiliations

  1. Department of Chemistry, Purdue University , West Lafayette, Indiana 47907-2084, United States.

PMID: 27539533 DOI: 10.1021/acs.jpca.6b06942

Abstract

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 β-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 β-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 β-O-4 linkages. Different binding sites are distinguished from one another by the number of M(+)···OH···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.

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