Two Blatter Radicals Face-to-Face: A Constrained Diradical Architecture

IF 14.4 1区 化学 Q1 CHEMISTRY, MULTIDISCIPLINARY Journal of the American Chemical Society Pub Date : 2024-12-20 DOI:10.1021/jacs.4c16500
Paulina Bartos, Dominika Pomikło, Kadin B. Sorenson, Oleksandr Hietsoi, Andrienne C. Friedli, Piotr Kaszyński
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Abstract

Cofacial arrangement of two Blatter radicals enforced by the peri-naphthalene scaffold represents a new approach to stable diradicals with strong through-space interactions. Two stereoisomers of the naphthalene-diradicals, anti and syn, are investigated by XRD, VT-EPR, UV–vis, electrochemical, kinetic, and DFT methods. In solutions, both stereoisomers exist as open-shell singlets with ΔES-T = −3.1 and −3.8 kcal mol–1, respectively. The anti isomer was resolved into enantiomers and converts to syn with ΔG298 = 23.6(8) kcal mol–1.

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来源期刊
CiteScore
24.40
自引率
6.00%
发文量
2398
审稿时长
1.6 months
期刊介绍: The flagship journal of the American Chemical Society, known as the Journal of the American Chemical Society (JACS), has been a prestigious publication since its establishment in 1879. It holds a preeminent position in the field of chemistry and related interdisciplinary sciences. JACS is committed to disseminating cutting-edge research papers, covering a wide range of topics, and encompasses approximately 19,000 pages of Articles, Communications, and Perspectives annually. With a weekly publication frequency, JACS plays a vital role in advancing the field of chemistry by providing essential research.
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