Sarah Costa, Michael M. Aristov, Sang Ho Lim, Sarah M. Chui, Katelyn A. Espinoza, Marilyn M. Olmstead, James C. Fettinger, John F. Berry* and Alan L. Balch*,
{"title":"二聚体 Au2(μ-1,2-双(二苯基膦)乙烷)2I2溶解晶体中的分子柔性与三配位金(I)","authors":"Sarah Costa, Michael M. Aristov, Sang Ho Lim, Sarah M. Chui, Katelyn A. Espinoza, Marilyn M. Olmstead, James C. Fettinger, John F. Berry* and Alan L. Balch*, ","doi":"10.1021/acs.inorgchem.4c00783","DOIUrl":null,"url":null,"abstract":"<p >We report the ability to trap the dimer Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub> (dppe is 1,2-bis(diphenylphosphino)ethane) with different separations between the three-coordinate gold ions in crystalline solvates. All of these solvates ((Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·4(CH<sub>2</sub>Cl<sub>2</sub>) (<b>1</b>), Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·2(CH<sub>2</sub>Cl<sub>2</sub>) (<b>2</b>), the polymorphs α-Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·2(HC(O)NMe<sub>2</sub>) (<b>3</b>) and β-Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·2(HC(O)NMe<sub>2</sub>) (<b>4</b>), and Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·4(CHCl<sub>3</sub>) (<b>5</b>)) along with polymeric {Au(μ-dppe)I}<i><sub>n</sub></i>·<i>n</i>(CHCl<sub>3</sub>) (<b>6</b>)) originated from the same reaction, only the solvent system used for crystallization differed. In the different solvates of Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>, the Au···Au separation varied from 3.192(1) to 3.7866(3) Å. Computational studies undertaken to understand the flexible nature of these dimers indicated that the structural differences were primarily a result of crystal packing effects with aurophillic interactions having a minimal effect.</p>","PeriodicalId":40,"journal":{"name":"Inorganic Chemistry","volume":null,"pages":null},"PeriodicalIF":4.3000,"publicationDate":"2024-07-02","publicationTypes":"Journal Article","fieldsOfStudy":null,"isOpenAccess":false,"openAccessPdf":"","citationCount":"0","resultStr":"{\"title\":\"Molecular Flexibility in Solvated Crystals of the Dimer, Au2(μ-1,2-bis(diphenylphosphino)ethane)2I2, with Three-Coordinate Gold(I)\",\"authors\":\"Sarah Costa, Michael M. Aristov, Sang Ho Lim, Sarah M. Chui, Katelyn A. Espinoza, Marilyn M. Olmstead, James C. Fettinger, John F. Berry* and Alan L. Balch*, \",\"doi\":\"10.1021/acs.inorgchem.4c00783\",\"DOIUrl\":null,\"url\":null,\"abstract\":\"<p >We report the ability to trap the dimer Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub> (dppe is 1,2-bis(diphenylphosphino)ethane) with different separations between the three-coordinate gold ions in crystalline solvates. All of these solvates ((Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·4(CH<sub>2</sub>Cl<sub>2</sub>) (<b>1</b>), Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·2(CH<sub>2</sub>Cl<sub>2</sub>) (<b>2</b>), the polymorphs α-Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·2(HC(O)NMe<sub>2</sub>) (<b>3</b>) and β-Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·2(HC(O)NMe<sub>2</sub>) (<b>4</b>), and Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>·4(CHCl<sub>3</sub>) (<b>5</b>)) along with polymeric {Au(μ-dppe)I}<i><sub>n</sub></i>·<i>n</i>(CHCl<sub>3</sub>) (<b>6</b>)) originated from the same reaction, only the solvent system used for crystallization differed. In the different solvates of Au<sub>2</sub>(μ-dppe)<sub>2</sub>I<sub>2</sub>, the Au···Au separation varied from 3.192(1) to 3.7866(3) Å. Computational studies undertaken to understand the flexible nature of these dimers indicated that the structural differences were primarily a result of crystal packing effects with aurophillic interactions having a minimal effect.</p>\",\"PeriodicalId\":40,\"journal\":{\"name\":\"Inorganic Chemistry\",\"volume\":null,\"pages\":null},\"PeriodicalIF\":4.3000,\"publicationDate\":\"2024-07-02\",\"publicationTypes\":\"Journal Article\",\"fieldsOfStudy\":null,\"isOpenAccess\":false,\"openAccessPdf\":\"\",\"citationCount\":\"0\",\"resultStr\":null,\"platform\":\"Semanticscholar\",\"paperid\":null,\"PeriodicalName\":\"Inorganic Chemistry\",\"FirstCategoryId\":\"92\",\"ListUrlMain\":\"https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c00783\",\"RegionNum\":2,\"RegionCategory\":\"化学\",\"ArticlePicture\":[],\"TitleCN\":null,\"AbstractTextCN\":null,\"PMCID\":null,\"EPubDate\":\"\",\"PubModel\":\"\",\"JCR\":\"Q1\",\"JCRName\":\"CHEMISTRY, INORGANIC & NUCLEAR\",\"Score\":null,\"Total\":0}","platform":"Semanticscholar","paperid":null,"PeriodicalName":"Inorganic Chemistry","FirstCategoryId":"92","ListUrlMain":"https://pubs.acs.org/doi/10.1021/acs.inorgchem.4c00783","RegionNum":2,"RegionCategory":"化学","ArticlePicture":[],"TitleCN":null,"AbstractTextCN":null,"PMCID":null,"EPubDate":"","PubModel":"","JCR":"Q1","JCRName":"CHEMISTRY, INORGANIC & NUCLEAR","Score":null,"Total":0}
Molecular Flexibility in Solvated Crystals of the Dimer, Au2(μ-1,2-bis(diphenylphosphino)ethane)2I2, with Three-Coordinate Gold(I)
We report the ability to trap the dimer Au2(μ-dppe)2I2 (dppe is 1,2-bis(diphenylphosphino)ethane) with different separations between the three-coordinate gold ions in crystalline solvates. All of these solvates ((Au2(μ-dppe)2I2·4(CH2Cl2) (1), Au2(μ-dppe)2I2·2(CH2Cl2) (2), the polymorphs α-Au2(μ-dppe)2I2·2(HC(O)NMe2) (3) and β-Au2(μ-dppe)2I2·2(HC(O)NMe2) (4), and Au2(μ-dppe)2I2·4(CHCl3) (5)) along with polymeric {Au(μ-dppe)I}n·n(CHCl3) (6)) originated from the same reaction, only the solvent system used for crystallization differed. In the different solvates of Au2(μ-dppe)2I2, the Au···Au separation varied from 3.192(1) to 3.7866(3) Å. Computational studies undertaken to understand the flexible nature of these dimers indicated that the structural differences were primarily a result of crystal packing effects with aurophillic interactions having a minimal effect.
期刊介绍：
Inorganic Chemistry publishes fundamental studies in all phases of inorganic chemistry. Coverage includes experimental and theoretical reports on quantitative studies of structure and thermodynamics, kinetics, mechanisms of inorganic reactions, bioinorganic chemistry, and relevant aspects of organometallic chemistry, solid-state phenomena, and chemical bonding theory. Emphasis is placed on the synthesis, structure, thermodynamics, reactivity, spectroscopy, and bonding properties of significant new and known compounds.
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