title: Reactions of (CF3)3BCO with amines and phosphines.
abstract: Reactions of tris(trifluoromethyl)borane carbonyl, (CF(3))(3)BCO, with ammonia yielded either a mixture of [NH(4)][(CF(3))(3)BC(O)NH(2)], [NH(4)][(CF(3))(3)BCN], and [NH(4)](2)[{(CF(3))(3)BC(O)}(2)NH] or neat [NH(4)](2)[{(CF(3))(3)BC(O)}(2)NH] depending on the reaction conditions. The salt K[(CF(3))(3)BC(O)NH(2)] was obtained as the sole product from the reaction of NH(3) with K[(CF(3))(3)BC(O)F]. A simple synthesis for cyanotris(trifluoromethyl)borates, M[(CF(3))(3)BCN], was developed by dehydration of M[(CF(3))(3)BC(O)NH(2)] (M = [NH(4)], K) using phosgene. In addition, syntheses of the tris(trifluoromethyl)boron species [(CF(3))(3)BC(O)NH(n)()Pr](-), [(CF(3))(3)BC(O)NMe(2)](-), and (CF(3))(3)BC(O)NMe(3), as well as of (CF(3))(3)BC(O)PMe(3), were performed. All species were characterized by multinuclear NMR spectroscopy. As far as neat substances resulted, IR and Raman spectra were recorded and their thermal behaviors were studied by differential scanning calorimetry. The interpretation of reaction pathways, structures, and vibrational spectra are supported by DFT calculations. The solid-state structure of K(2)[{(CF(3))(3)BC(O)}(2)NH].2MeCN was determined by single-crystal X-ray diffraction.
authors.affiliation: FB C-Anorganische Chemie, Bergische Universität Wuppertal, Gaussstrasse 20, D-42097 Wuppertal, Germany. maik.finze@uni-duesseldorf.de
authors.forename: Maik
authors.initials: M
authors.lastname: Finze
authors.forename: Eduard
authors.initials: E
authors.lastname: Bernhardt
authors.forename: Helge
authors.initials: H
authors.lastname: Willner
authors.forename: Christian W
authors.initials: CW
authors.lastname: Lehmann
mesh_terms: D000588:Amines / Q000737:chemistry*; D001896:Boron Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D009682:Magnetic Resonance Spectroscopy / Q000379:methods / Q000592:standards; D008956:Models, Chemical; D009942:Organometallic Compounds / Q000138:chemical synthesis / Q000737:chemistry*; D010720:Phosphines / Q000737:chemistry*; D012015:Reference Standards; D012680:Sensitivity and Specificity; D013055:Spectrophotometry, Infrared; D014732:Vibration
chemical_list: D000588:Amines; D001896:Boron Compounds; D009942:Organometallic Compounds; D010720:Phosphines; C511461:tris(trifluoromethyl)borane carbonyl