Talanta 63 (2004) 259–264 Mechanistic investigation of hydrolysis reactions of dithioacetal derivatives grafted on silica gels Hee-Jung Im a , Craig E. Barnes a , Sheng Dai b , Ziling Xue a, a Department of Chemistry, University of Tennessee, Knoxville, TN 37996-1600, USA b Chemical Sciences Division, Oak Ridge National Laboratory, Oak Ridge, TN 37831-6101, USA Received 11 August 2003; received in revised form 21 October 2003; accepted 21 October 2003 Abstract Silica gels believed to be grafted with dithioacetal derivatives were recently used for Hg(II) extraction, and were found to selectively remove 94–100% of Hg 2+ ions from metal ion mixtures. The current studies with one derivative suggest that the functional group in the Hg(II) removal is the mercapto (–SH) ligand. The dithioacetal group in (ClCOCH 2 S) 2 CHPh (2) was hydrolyzed during its reaction with amine (–O) 3 Si(CH 2 ) 3 NH 2 (3) grafted on silica gel to give the mercapto ligand (–O) 3 Si–(CH 2 ) 3 NHCOCH 2 SH (4). The silica gel grafted with the mercapto ligand 4 selectively removed Hg 2+ ions with reported high capacities. © 2003 Elsevier B.V. All rights reserved. Keywords: Functional silica gels; Mercury(II) separation; Hydrolysis of dithioacetals; Mercapto ligands 1. Introduction Functional groups for target analytes such as metal ions play an essential role in solid phase extractions (SPE) and separations and are of intense current interest [1–3]. Much effort has been devoted to the design and grafting of func- tional groups onto solid supports such as silica gel. Mercapto (–SH) ligands are among the most widely used ligands for Hg(II) extraction and separation [1,2]. The recent grafting of the mercapto ligand (–O) 3 Si(CH 2 ) 3 SH on mesoporous sol gels led to materials with large Hg(II) uptake capacities and fast Hg(II) removal [1,2]. Silica gels believed to contain tethered dithioacetal derivatives [(–O) 3 Si–(CH 2 ) 3 NHCOCH 2 S] 2 CHAr (Ar = para-C 6 H 4 -X, X = H, 1; Me, OMe, Cl, NO 2 ) were re- cently reported to selectively remove Hg 2+ ions from a mixture of interfering metal ions [4]. Several dithioacetals RCH(SR ) 2 have been reported to undergo hydrolysis pro- moted by Lewis acids such as Hg 2+ to yield aldehydes RCHO and mercury thiolates Hg(SR ) 2 , see, e.g. [5], and Supplementary data associated with this article can be found at doi: 10.1016/j.talanta.2003.10.026. Corresponding author. Tel.: +1-865-974-3443; fax: +1-865-974-3454. E-mail address: xue@novell.chem.utk.edu (Z. Xue). these dithioacetals have been used as protecting reagents for carbonyl groups in organic synthesis. In particular, we recently reported that, over a large pH range (pH = 1.00-at least 7.0), the reactions of Hg 2+ ions with dithioacetals o-C 6 H 4 [CH(SCH 2 COOH) 2 ] 2 , PhCH(SCH 2 COOH) 2 , and CH 3 (CH 2 ) 2 CH(SCH 2 COOH) 2 in water lead to their decom- position to mercaptoacetic acid (HSCH 2 COOH) and alde- hydes o-C 6 H 4 (CH=O) 2 , PhCH=O and CH 3 (CH 2 ) 2 CH=O, respectively. RCH(SCH 2 COOH) 2 + Hg 2+ + H 2 O Hg(SCH 2 COOH) 2 ↓+ 2H + + RCHO, R = Ph,n-Pr (1) Subsequent reaction of HSCH 2 COOH with Hg 2+ ions gives Hg(SCH 2 COOH) 2 (e.g., Eq. (1)) [6]. These reactions are fast, giving immediate precipitation of Hg(SCH 2 COOH) 2 when Hg 2+ is added to solutions of dithioacetals. Dithioac- 0039-9140/$ – see front matter © 2003 Elsevier B.V. All rights reserved. doi:10.1016/j.talanta.2003.10.026