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Packing of ruthenium sensitizer molecules on mostly exposed faces of nanocrystalline TiO 2 : crystal structure of (NBu 4 + ) 2 [Ru(H 2 tctterpy)(NCS) 3 ] 2− ·0.5 DMSO
Author(s) -
Shklover V.,
Nazeeruddin Md. K.,
Grätzel M.,
Ovchinnikov Yu. E.
Publication year - 2002
Publication title -
applied organometallic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.53
H-Index - 71
eISSN - 1099-0739
pISSN - 0268-2605
DOI - 10.1002/aoc.361
Subject(s) - ruthenium , chemistry , crystal (programming language) , nanocrystalline material , crystallography , crystal structure , hydrogen bond , molecule , monolayer , anatase , catalysis , organic chemistry , biochemistry , photocatalysis , computer science , programming language
Abstract An X‐ray crystal study of the new ‘black dye’ sensitizer tri(thiocyanato)(4,4′,4″‐tricarboxy‐2,2′:6′,2″‐terpyridine)ruthenium(II) is reported. In the crystal, strong hydrogen bonds form chains of ruthenium complex dianions with the O···O distances of 2.48–2.54 Å. From the molecular geometry of the dianions, structural models of their close packing on the (101) and (001) crystal surfaces of TiO 2 (anatase) have been built. The maximum possible density of molecular packing noticeably exceeds the experimental value. The hydrogen bonding between the anions in monolayers, located on the TiO 2 surface, is discussed. Copyright © 2002 John Wiley & Sons, Ltd.