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Formation, Structural Characterization, and Calculated NMR Chemical Shifts of Selenium‐Nitrogen Compounds from SeCl 4 and ArNHLi (Ar = supermesityl, mesityl)
Author(s) -
Maaninen Tiina,
Tuon Heikki M.,
Kosunen Katja,
Oilunkaniemi Raija,
Hiitola Johanna,
Laitinen Risto,
Chivers Tristram
Publication year - 2004
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.200400286
Subject(s) - selenium , chemistry , molecule , crystallography , nuclear magnetic resonance spectroscopy , hydrogen bond , yield (engineering) , spectroscopy , crystal structure , diimide , stereochemistry , organic chemistry , materials science , physics , perylene , quantum mechanics , metallurgy
Supermesityl selenium diimide [Se{N(C 6 H 2 t Bu 3 ‐2, 4, 6)} 2 ; Se{N(mes*)} 2 ] can be prepared in a good yield from the reaction of SeCl 4 and (mes*)NHLi. The molecule adopts an unprecedented anti, anti ‐conformation, as deduced by DFT calculations at PBE0/TZVP level of theory and supported by 77 Se NMR spectroscopy and a crystal structure determination. An analogous reaction involving (C 6 H 2 Me 3 ‐2, 4, 6)NHLi [(mes)NHLi] unexpectedly lead to the reduction of selenium and afforded the selenium diamide Se{NH(mes)} 2 that was characterized by X‐ray crystallography and 77 Se NMR spectroscopy. The Se‐N bonds of 1.847(3) and 1.852(3) Å show normal single bond lengths. The