Halogen Bonding Involving Gold Nucleophiles in Different Oxidation States; Inorganic Chemistry; Vol. 61, iss. 39
| Parent link: | Inorganic Chemistry Vol. 61, iss. 39.— 2022.— [P. 15398–15407] |
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| Tác giả của công ty: | |
| Tác giả khác: | , , , , , , |
| Tóm tắt: | Title screen A single-crystal X-ray diffraction (XRD) study of diaryliodonium tetrachloroaurates (or, in the recent terminology, tetrachloridoaurates), [(p-XC6H4)2I][AuCl4] (X = Cl, 1; Br, 2), was performed for 1 (the structure is denoted as 1a to show similarity with the isomorphic structure 2a) and two polymorphs─2a (obtained from MeOH) and 2b (from 1,2-C2H4Cl2). Examination of the XRD data for these three structures revealed 2-center C-X···AuIII (X = Cl and Br) and 3-center bifurcated C-Br···(Cl-Au) halogen bonding (abbreviated as XB) between the p-Cl or p-Br atoms of the diaryliodonium cations and the gold(III) atom of [AuCl4]−. The noncovalent nature of AuIII-involving interactions, the nucleophilicity of the gold(III) atoms, and the electrophilic role of p-X atoms of the diaryliodonium cations in the XBs were studied by a set of complementary computational methods. Combined experimental and theoretical studies allowed the recognition of the d-nucleophilicity of the [d8AuIII] atom which, regardless of its rather substantial formal 3+ charge, can function as a d-nucleophilic partner of XB. This conclusion was also supported by theoretical calculations performed for the structures' refcodes BINXOM and ICSD 62511; the obtained data verified the nucleophilicity of AuIII toward a K+ ions or a σ-(Cl)-hole, respectively. All our results, together with consideration of relevant literature, indicate that gold atoms in the three oxidation states (0, I, and even III) exhibit nucleophilicity in XBs. Режим доступа: по договору с организацией-держателем ресурса |
| Ngôn ngữ: | Tiếng Anh |
| Được phát hành: |
2022
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| Những chủ đề: | |
| Truy cập trực tuyến: | https://doi.org/10.1021/acs.inorgchem.2c01858 |
| Định dạng: | Điện tử Chương của sách |
| KOHA link: | https://koha.lib.tpu.ru/cgi-bin/koha/opac-detail.pl?biblionumber=668774 |
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| 200 | 1 | |a Halogen Bonding Involving Gold Nucleophiles in Different Oxidation States |f I. S. Aliyarova, E. Yu. Tupikina, N. S. Soldatova [et al.] | |
| 203 | |a Text |c electronic | ||
| 300 | |a Title screen | ||
| 320 | |a [References: 90 tit.] | ||
| 330 | |a A single-crystal X-ray diffraction (XRD) study of diaryliodonium tetrachloroaurates (or, in the recent terminology, tetrachloridoaurates), [(p-XC6H4)2I][AuCl4] (X = Cl, 1; Br, 2), was performed for 1 (the structure is denoted as 1a to show similarity with the isomorphic structure 2a) and two polymorphs─2a (obtained from MeOH) and 2b (from 1,2-C2H4Cl2). Examination of the XRD data for these three structures revealed 2-center C-X···AuIII (X = Cl and Br) and 3-center bifurcated C-Br···(Cl-Au) halogen bonding (abbreviated as XB) between the p-Cl or p-Br atoms of the diaryliodonium cations and the gold(III) atom of [AuCl4]−. The noncovalent nature of AuIII-involving interactions, the nucleophilicity of the gold(III) atoms, and the electrophilic role of p-X atoms of the diaryliodonium cations in the XBs were studied by a set of complementary computational methods. Combined experimental and theoretical studies allowed the recognition of the d-nucleophilicity of the [d8AuIII] atom which, regardless of its rather substantial formal 3+ charge, can function as a d-nucleophilic partner of XB. This conclusion was also supported by theoretical calculations performed for the structures' refcodes BINXOM and ICSD 62511; the obtained data verified the nucleophilicity of AuIII toward a K+ ions or a σ-(Cl)-hole, respectively. All our results, together with consideration of relevant literature, indicate that gold atoms in the three oxidation states (0, I, and even III) exhibit nucleophilicity in XBs. | ||
| 333 | |a Режим доступа: по договору с организацией-держателем ресурса | ||
| 461 | |t Inorganic Chemistry | ||
| 463 | |t Vol. 61, iss. 39 |v [P. 15398–15407] |d 2022 | ||
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| 610 | 1 | |a cluster chemistry | |
| 610 | 1 | |a gold | |
| 610 | 1 | |a ions | |
| 610 | 1 | |a noncovalent interactions | |
| 610 | 1 | |a катионы | |
| 610 | 1 | |a кластеры | |
| 610 | 1 | |a золото | |
| 610 | 1 | |a ионы | |
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| 701 | 1 | |a Tupikina |b E. Yu. |g Elena Yurjevna | |
| 701 | 1 | |a Soldatova |b N. S. |c organic chemist |c engineer of Tomsk Polytechnic University |f 1992- |g Nataliya Sergeevna |3 (RuTPU)RU\TPU\pers\36289 |9 19363 | |
| 701 | 1 | |a Ivanov |b D. M. |c Chemist |c Senior researcher of Tomsk Polytechnic University, Candidate of chemical sciences |f 1992- |g Daniil Mikhaylovich |3 (RuTPU)RU\TPU\pers\47038 |9 22632 | |
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