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A Selenium‐Nitrogen Chain with Selenium in Different Oxidation States
Author(s) -
Karhu Aino J.,
Jämsä Juho,
Rautiainen J. Mikko,
Oilunkaniemi Raija,
Chivers Tristram,
Laitinen Risto S.
Publication year - 2017
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.201700031
Subject(s) - selenium , chemistry , molar ratio , nitrogen , chain (unit) , long chain , crystallography , inorganic chemistry , stereochemistry , organic chemistry , catalysis , polymer science , physics , astronomy
The reaction of t BuNH 2 with a mixture of SeCl 2 and SeOCl 2 in a 6:2:1 molar ratio produces the novel selenium‐nitrogen chain ClSeN( t Bu)Se(O)Cl ( 4 ), in which the selenium atoms are in two different oxidation states, Se II and Se IV . The crystal structure of 4 is compared with that of the related Se II /Se II system ClSeN( t Bu)SeCl ( 1 ) and differences are attributed to hyperconjugative effects. The energetics of the formation of 4 via two different routes are elucidated by PBE0/def2‐TZVPP calculations.