Syntheses, Structure, and Photoluminescence Properties of the 1-Dimensional Chain Compounds [(TPA)<sub>2</sub>Au][Au(CN)<sub>2</sub>] and (TPA)AuCl (TPA = 1,3,5-Triaza-7-phosphaadamantane) Zerihun Assefa Mohammad A. Omary Brian G. McBurnett Ahmed A. Mohamed Howard H. Patterson Richard J. Staples John P. Fackler 10.1021/ic025784r.s001 https://acs.figshare.com/articles/journal_contribution/Syntheses_Structure_and_Photoluminescence_Properties_of_the_1-Dimensional_Chain_Compounds_TPA_sub_2_sub_Au_Au_CN_sub_2_sub_and_TPA_AuCl_TPA_1_3_5-Triaza-7-phosphaadamantane_/3609093 The structures and temperature-dependent photoluminescence properties of the one-dimensional compounds [(TPA)<sub>2</sub>Au][Au(CN)<sub>2</sub>], <b>1</b>, and (TPA)AuCl, <b>2</b>, are reported. An extended linear chain with weak Au···Au interactions along the <i>c</i>-axis is evident in the structure of <b>1</b>, and a helical chain with a pitch of 3.271 Å is seen for <b>2</b>. The intrachain Au···Au separation is 3.457(1) and 3.396(2) Å in <b>1</b> and <b>2</b>, respectively. As a result of this weak Au···Au interaction, the physical properties of these compounds are anisotropic. Scanning electron microscopy (SEM) studies indicate that single crystals of both compounds are noninsulating. Single crystals of <b>1</b> do not luminesce visibly, but grinding the crystals finely initiates a strong green emission under UV irradiation at room temperature. Further interesting optical properties include the dependence of the emission profile of the powder on the exciting wavelength and luminescence thermochromism. When excited at wavelengths < 360 nm, the powder exhibits a blue emission at 425 nm while excitation with longer wavelengths leads to a green emission near 500 nm. While the green emission dominates at ambient temperature, cooling to cryogenic temperatures leads to the dominance of the blue emission. Fibers of <b>2</b> are luminescent at 78 K with an emission band centered at 580 nm. Compound <b>1</b> crystallizes in the orthorhombic space group <i>Cccm</i> (No. 66), with <i>Z </i>= 2, <i>a</i> = 6.011(1) Å, <i>b</i> = 23.877(6) Å, <i>c</i> = 6.914(1) Å, <i>V</i> = 992.3(3) Å<sup>3</sup>, and <i>R</i> = 0.0337. Compound <b>2</b> crystallizes in the trigonal space group <i>R</i>3̄ (No. 148), with <i>Z</i> = 18, <i>a</i> = 22.587(2) Å, <i>b</i> = 22.587(2) Å, <i>c</i> = 9.814(2) Å, <i>V</i> = 4336 Å<sup>3</sup>, and <i>R</i> = 0.0283. 2002-10-31 00:00:00 425 nm emission profile 3.271 Å TPA cryogenic temperatures compound 580 nm helical chain space group Cccm 4336 Å 3 ambient temperature Scanning electron microscopy luminescence thermochromism 500 nm SEM Photoluminescence Properties 2 crystallizes emission band Single crystals powder exhibits 78 K wavelength 360 nm room temperature UV irradiation Compound 1 crystallizes