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Syntheses, Structures, and Electronic Properties of a New Series of Tellurides of the Type [Sequestered Cation] 2 (Te x ) ( x = 1–4)
Author(s) -
Thiele Günther,
Lichtenberger Niels,
Tonner Ralf,
Dehnen Stefanie
Publication year - 2013
Publication title -
zeitschrift für anorganische und allgemeine chemie
Language(s) - English
Resource type - Journals
SCImago Journal Rank - 0.354
H-Index - 66
eISSN - 1521-3749
pISSN - 0044-2313
DOI - 10.1002/zaac.201300303
Subject(s) - telluride , chemistry , crystallography , ethylenediamine , lithium (medication) , decane , molecule , counterion , electronic structure , stereochemistry , ion , computational chemistry , inorganic chemistry , organic chemistry , medicine , endocrinology
Abstract The list of “classical” tellurides with organic cations was expanded by the synthesis of single‐crystalline salts [Li 2 ( en ) n ](Te x ) ( en = ethylenediamine) with n = 4, x = 1 ( 1 ), n = 4, x = 2 ( 2 ), and n = 5, x = 3 ( 3 ), [K( 18c6 )] 2 (Te x ) ( 18c6 = 1, 4,7, 10, 13, 16‐hexaoxacycloocta‐decane) with x = 2 ( 4 ), 4 ( 5 ), [K( 18c6 )] 2 [K( en )] 2 (Te 2 ) 2 ( 6 ), and [K([2.2.2] crypt )] 2 (Te 2 ) ( 7 ) ([2.2.2] crypt = 4, 7,13, 16, 21, 24‐hexaoxa‐1, 10‐diazabicyclo[8.8.8]‐hexacosane). Electronic structure calculations on free molecules and periodic approaches are discussed and compared with experimental UV/Vis spectra, providing a correlation of the bandgaps with the telluride chain length, and a possibility for affecting the gap by according choice of the counterions. Additionally, 125 Te NMR chemical shifts of the presented series of en solvated lithium tellurides are presented.