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Bonding Trends in Lewis Acid Adducts of S 4 N 4 – X‐ray Structure of TeCl 4 ·S 4 N 4
Author(s) -
Konu Jari,
Bajorek Tom,
Laitinen Risto S.,
Chivers Tristram,
Suontamo Reijo J.,
Ahlgrén Markku
Publication year - 2006
Publication title -
european journal of inorganic chemistry
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.667
H-Index - 136
eISSN - 1099-0682
pISSN - 1434-1948
DOI - 10.1002/ejic.200600138
Subject(s) - chemistry , adduct , crystallography , dichloromethane , molecule , raman spectroscopy , lewis acids and bases , bond length , crystal structure , molecular geometry , tellurium , solvent , inorganic chemistry , organic chemistry , catalysis , physics , optics
Tetrasulfur tetranitride and tellurium tetrachloride react in dichloromethane to form a 1:1 adduct TeCl 4 · S 4 N 4 ( 1 ). The crystal structure of 1 shows that TeCl 4 is bonded to the S 4 N 4 ring through a Te–N linkage. As a consequence, the transannular S ··· S bonds in S 4 N 4 are broken and the molecule assumes an open, monocyclic conformation. The Te–N bond of 2.16(1) Å is slightly longer than the single bond. The S–N bonds span a range of 1.55(1)–1.67(1) Å. The adduct 1 was also characterized by mass spectrometry and Raman spectroscopy. The bonding and spectroscopic properties of 1 are compared by DFT calculations at the B3PW91/(RLC ECP) level of theory with those of BF 3 · S 4 N 4 ( 2 ), SO 3 · S 4 N 4 ( 3 ), AsF 5 · S 4 N 4 ( 4 ), SbCl 5 · S 4 N 4 ( 5 ) for which experimental structural information is available. The structural and bonding trends in TeF 4 · S 4 N 4 ( 6 ), TeBr 4 · S 4 N 4 ( 7 ), and SeX 4 · S 4 N 4 [X = F ( 8 ), Cl ( 9 ), Br ( 10 )] are also discussed. (© Wiley‐VCH Verlag GmbH & Co. KGaA, 69451 Weinheim, Germany, 2006)