TETRAHEDRON LETTERS Tetrahedron Letters 44 (2003) 1967–1970 Pergamon Preparation and photophysical properties of halogenated silicon(IV) phthalocyanines substituted axially with poly(ethylene glycol) chains Pui-Chi Lo, a Shuangqing Wang, a Andre Zeug, b Matthias Meyer, b Beate Ro ¨ der b and Dennis K. P. Ng a, * a Department of Chemistry, The Chinese University of Hong Kong, Shatin, N.T., Hong Kong, China b Institut fu ¨r Physik, Humboldt -Universita ¨t Berlin, Invalidenstraße 110, 10115 Berlin, Germany Received 6 November 2002; revised 12 December 2002; accepted 20 December 2002 Abstract—A series of silicon(IV) phthalocyanines with two axial poly(ethylene glycol) chains SiPcX 8 [(OCH 2 CH 2 ) n OCH 3 ] 2 (X=H, Cl, Br; n16) have been prepared of which the photosensitizing properties are enhanced as the periphery of the macrocycle is substituted with heavier halogens. © 2003 Elsevier Science Ltd. All rights reserved. Being a versatile class of functional dyes, phthalocya- nines have been studied extensively for a vast number of practical applications. 1 For those involving the pho- tosensitizing properties of the macrocycles such as photodynamic therapy 2 and photocatalytic degradation of chlorinated phenols, 3 the molecules should exhibit desirable photophysical properties including high triplet ( T ) and singlet oxygen quantum yields ( ) and long triplet lifetimes ( T ). Nonaggregated phthalocyanines with a closed-shell metal center such as Zn II , Al III and Si IV are typical candidates for such applications. Although replacing the usual metal center with a heavy metal may increase the intersystem crossing quantum yield ( isc ) as a result of heavy atom perturbation, the resulting metallophthalocyanines usually have a very short triplet lifetime which cannot trigger the formation of singlet oxygen efficiently. 4 We report herein an alter- native strategy to ameliorate the photosensitizing efficiency of phthalocyanines by introducing heavy halogens on the periphery of the ring. Although halo- genated phthalocyanines have been known for some time, the use of these heavy substituents to alter the photophysical behavior of phthalocyanines has been little studied. 5 We are particularly interested in sili- con(IV) phthalocyanines because of their good photo- physical properties and ease of preparation and modification through the manipulation of the axial substituents. To increase the hydrophilicity of the macrocycles and reduce their aggregation tendency, two poly(ethylene glycol) chains have been introduced to the axial positions. 6 It is worth noting that phthalocya- nines conjugated with these polymeric materials are well-known for their mesogenic properties. 7 Reports on their photosensitizing applications, however, remain scarce in literature. 8 The method for preparation of the halogenated phthalocyanines 3b and 3c was similar to that for the unsubstituted analogue 3a (Scheme 1). 9 Starting from dichloro- 1b or dibromo-phthalonitrile 1c, bubbling of dry ammonia into a methanol solution in the presence of sodium methoxide led to the corresponding 1,3- diiminoisoindolines 2b or 2c, which upon treatment with SiCl 4 in quinoline afforded the silicon(IV) phthalo- cyanines 3b or 3c, respectively. Due to the poor solubil- ity of these compounds in common organic solvents, they could only be purified by Soxhlet extraction and characterized with UV–vis spectroscopy. 10 Reactions of 3 (X=H, Cl, Br) with poly(ethylene glycol) methyl ether (M n 750) in the presence of NaH in refluxing toluene resulted in axial substitution giving 4ac in moderate yields. These polymeric materials have high solubility in many organic solvents and were purified readily by column chromatography. Treatment of diiodophthalonitrile 1d with ammonia also gave a diiminoisoindoline 2d, but attempts to prepare the octaiodo counterpart of 4 following the same pathway were not successful. The 1 H NMR spectrum of the resulting product gave many signals instead of a singlet in the aromatic region showing that some of the iodo * Corresponding author. E-mail: dkpn@cuhk.edu.hk 0040-4039/03/$ - see front matter © 2003 Elsevier Science Ltd. All rights reserved. PII:S0040-4039(03)00061-3