Herein, we report the synthesis and characterization of the metal free low valent fluoroborylene (Me-cAAC)2BF (1) stabilized by cyclic (alkyl)(amino) carbene (cAAC). The fluoroborylene 1 is obtained by the reductive defluorination of Me-cAAC:BF3 with 2.0 equiv of KC8 in the presence of 1.0 equiv of Me-cAAC. Due to its highly electron rich nature, 1 underwent one-electron oxidn. with 1.0 equiv of lithium tetrakis(pentafluorophenyl)borate LiB(C6F5)4 to form the radical cation (Me-cAAC)2BF ̇+B(C6F5)4- (2). DFT studies suggested that the lone pair of electrons is localized on the boron atom in 1, which explains its unprecedented reactivity. Both compds. 1 and 2 were characterized by X-ray crystallog. The radical cation 2 was studied by EPR spectroscopy. on SciFinder(R)
%0 Journal Article
%1 Sarkar.2019b
%A Sarkar, Samir Kumar
%A Siddiqui, Mujahuddin M.
%A Kundu, Subrata
%A Ghosh, Munmun
%A Kretsch, Johannes
%A Stollberg, Peter
%A Herbst-Irmer, Regine
%A Stalke, Dietmar
%A Stueckl, A. Claudia
%A Schwederski, Brigitte
%A Kaim, Wolfgang
%A Ghorai, Sagar
%A Jemmis, Eluvathingal D.
%A Roesky, Herbert W.
%D 2019
%J Dalton Transactions
%K DFT EPR;crystal base cation electrochem fluoroborylene mol optimized prepn radical stabilized structure
%N 24
%P 8551--8555
%R 10.1039/c9dt01899a
%T Isolation of base stabilized fluoroborylene and its radical cation
%V 48
%X Herein, we report the synthesis and characterization of the metal free low valent fluoroborylene (Me-cAAC)2BF (1) stabilized by cyclic (alkyl)(amino) carbene (cAAC). The fluoroborylene 1 is obtained by the reductive defluorination of Me-cAAC:BF3 with 2.0 equiv of KC8 in the presence of 1.0 equiv of Me-cAAC. Due to its highly electron rich nature, 1 underwent one-electron oxidn. with 1.0 equiv of lithium tetrakis(pentafluorophenyl)borate LiB(C6F5)4 to form the radical cation (Me-cAAC)2BF ̇+B(C6F5)4- (2). DFT studies suggested that the lone pair of electrons is localized on the boron atom in 1, which explains its unprecedented reactivity. Both compds. 1 and 2 were characterized by X-ray crystallog. The radical cation 2 was studied by EPR spectroscopy. on SciFinder(R)
@article{Sarkar.2019b,
abstract = {Herein, we report the synthesis and characterization of the metal free low valent fluoroborylene [(Me-cAAC)2BF] (1) stabilized by cyclic (alkyl)(amino) carbene (cAAC). The fluoroborylene 1 is obtained by the reductive defluorination of Me-cAAC:BF3 with 2.0 equiv of KC8 in the presence of 1.0 equiv of Me-cAAC. Due to its highly electron rich nature, 1 underwent one-electron oxidn. with 1.0 equiv of lithium tetrakis(pentafluorophenyl)borate [LiB(C6F5)4] to form the radical cation [(Me-cAAC)2BF] ̇+[B(C6F5)4]- (2). DFT studies suggested that the lone pair of electrons is localized on the boron atom in 1, which explains its unprecedented reactivity. Both compds. 1 and 2 were characterized by X-ray crystallog. The radical cation 2 was studied by EPR spectroscopy. [on SciFinder(R)]},
added-at = {2019-07-15T13:41:23.000+0200},
author = {Sarkar, Samir Kumar and Siddiqui, Mujahuddin M. and Kundu, Subrata and Ghosh, Munmun and Kretsch, Johannes and Stollberg, Peter and Herbst-Irmer, Regine and Stalke, Dietmar and Stueckl, A. Claudia and Schwederski, Brigitte and Kaim, Wolfgang and Ghorai, Sagar and Jemmis, Eluvathingal D. and Roesky, Herbert W.},
biburl = {https://puma.ub.uni-stuttgart.de/bibtex/274686dcffa571609a83a1a40e3482ae6/b_schwederski},
doi = {10.1039/c9dt01899a},
interhash = {d9e54347198a7444d4de47c5a29eb705},
intrahash = {74686dcffa571609a83a1a40e3482ae6},
issn = {1477-9226},
journal = {Dalton Transactions},
keywords = {DFT EPR;crystal base cation electrochem fluoroborylene mol optimized prepn radical stabilized structure},
number = 24,
pages = {8551--8555},
timestamp = {2019-07-15T11:42:10.000+0200},
title = {Isolation of base stabilized fluoroborylene and its radical cation},
volume = 48,
year = 2019
}
