Elucidating the Solution-Phase Structure and Behavior of 8-Hydroxyquinoline Zinc in DMSO | Zendy

Kyle A. Grice | Zendy; Graham B. Griffin | Zendy; Phoebus Sun Cao | Zendy; Cesar Saucedo | Zendy; Aeshah H. Niyazi | Zendy; F. Aldakheel | Zendy; George E. Sterbinsky | Zendy; Robert J. LeSuer | Zendy

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Elucidating the Solution-Phase Structure and Behavior of 8-Hydroxyquinoline Zinc in DMSO

Author(s) -

Kyle A. Grice,

Graham B. Griffin,

Phoebus Sun Cao,

Cesar Saucedo,

Aeshah H. Niyazi,

F. Aldakheel,

George E. Sterbinsky,

Robert J. LeSuer

Publication year - 2018

Publication title -

the journal of physical chemistry a

Language(s) - English

Resource type - Journals

SCImago Journal Rank - 0.756

H-Index - 235

eISSN - 1520-5215

pISSN - 1089-5639

DOI - 10.1021/acs.jpca.7b12632

Subject(s) - chemistry , zinc , x ray absorption spectroscopy , extended x ray absorption fine structure , relaxation (psychology) , absorption spectroscopy , electronic structure , density functional theory , molecule , denticity , singlet state , spectroscopy , ultrafast laser spectroscopy , phase (matter) , absorption (acoustics) , monomer , ab initio , computational chemistry , crystallography , materials science , crystal structure , polymer , organic chemistry , excited state , atomic physics , psychology , social psychology , physics , quantum mechanics , composite material

The solution-phase structure and electronic relaxation dynamics of zinc bis-8-hydroxyquinoline [Zn(8HQ) 2 ] in dimethyl sulfoxide (DMSO) were examined using a broad array of spectroscopic techniques, complimented by ab initio calculations of molecular structure. The ground-state structure was determined using extended X-ray absorption fine structure (EXAFS) data collected on the Zn K-edge and diffusion ordered spectroscopy (DOSY) NMR. The complex was found to be monomeric and octahedral, with two bidentate 8-hydroxyquinolate ligands and two DMSO molecules coordinated to the zinc through oxygen atoms. Electronic relaxation dynamics were examined with ultrafast transient absorption spectroscopy and complementary density functional calculations. Electronic relaxation was observed to proceed through both singlet and triplet pathways. This solution-phase data provides a deeper physical understanding of the behavior of this molecule, which has a variety of uses such as sensing, OLEDs, and biological applications.

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