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Hexaethyl‐2,3,5‐tricarba‐ nido ‐hexaborane(7), Its Monoanion and the (Triphenylphosphane)gold and Dicarbonylrhodium Complexes
Author(s) -
Wrackmeyer Bernd,
Schanz HansJoerg,
Milius Wolfgang,
Veith Michael
Publication year - 2015
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.201500676
Subject(s) - chemistry , crystallography , cluster (spacecraft) , ion , stereochemistry , atom (system on chip) , coupling constant , chemical shift , computational chemistry , organic chemistry , physics , particle physics , computer science , embedded system , programming language
Experimental and calculated [B3LYP/6‐311+G(d,p) level of theory] NMR parameters [chemical shifts δ 11 B and δ 13 C, and coupling constants 1 J ( 13 C, 11 B) and 1 J ( 11 B, 11 B)] of hexaethyl‐2,4‐dicarba‐ nido ‐hexaborane(8), hexaethyl‐2,3,5‐tricarba‐ nido ‐hexaborane(7) and their monoanions are reported. The solid‐state structure of the 2,3,5‐tricarbaborane was determined by X‐ray crystallography as the Au–PPh 3 complex, where the gold atom is linked to C5 (88 %) with contacts to B4,6 or to C2,3 (12 %) with contacts to B4,6. The 2,3,5‐tricarbaborate anion η 5 ‐coordinates to the Rh(CO) 2 fragment, forming a closo cluster.