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The Aromatic 2-Iminomethylphenyltellurenyl Cation. A Lewis Superacid Despite the Intramolecularly Coordinating N-Donor Ligand
Organometallics ( IF 2.5 ) Pub Date : 2020-03-13 , DOI: 10.1021/acs.organomet.0c00014 Martin Hejda 1, 2 , Daniel Duvinage 1 , Enno Lork 1 , Robert Jirásko 3 , Antonín Lyčka 4 , Stefan Mebs 5 , Libor Dostál 2 , Jens Beckmann 1
Organometallics ( IF 2.5 ) Pub Date : 2020-03-13 , DOI: 10.1021/acs.organomet.0c00014 Martin Hejda 1, 2 , Daniel Duvinage 1 , Enno Lork 1 , Robert Jirásko 3 , Antonín Lyčka 4 , Stefan Mebs 5 , Libor Dostál 2 , Jens Beckmann 1
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The reaction of 2-(tBuNCH)C6H4TeCl with silver salts of weakly coordinating anions, AgX {X = O3SCF3, SbF6, or Al[OC(CF3)3]4}, provided the aryltellurenyl salts [2-(tBuNCH)C6H4Te](O3SCF3) (1), [2-(tBuNCH)C6H4Te](SbF6) (2), and [2-(tBuNCH)C6H4Te]{Al[OC(CF3)3]4} (3), which comprise loosely associated ion pairs in the solid state. In solution, 1–3 undergo electrolytic dissociation into the tellurenyl cation [2-(tBuNCH)C6H4Te]+ ([4]+) and the respective anions X– to various degrees, which was investigated by multinuclear NMR spectroscopy and conductivity measurements. The electronic structure of 1–3 and [4]+ at both multiplicities (M = 1 and 3) was studied by DFT calculations using a set of real-space bond indicators. NICS calculations confirm the aromatic character of the central C3NTe ring in [4]+ (M = 1). FIA calculations suggest that [4]+ is a Lewis superacid.
中文翻译：
芳族2-亚氨基甲基苯基蝶烯基阳离子。尽管分子内配位的N-配体配体的路易斯超酸
2-（t BuNCH）C 6 H 4 TeCl与弱配位阴离子的银盐AgX {X = O 3 SCF 3，SbF 6或Al [OC（CF 3）3 ] 4 }反应，得到芳基碲烯基盐[2-（t BuNCH）C 6 H 4 Te]（O 3 SCF 3）（1），[2-（t BuNCH）C 6 H 4 Te]（SbF 6）（2）和[2-（t BuNCH）C 6 H 4Te] {Al [OC（CF 3）3 ] 4 }（3），其中包括处于固态的松散缔合的离子对。在溶液中，1-3经受电解解离成tellurenyl阳离子[2-（吨一束）C 6 H ^ 4碲] +（[ 4 ] +）和相应的阴离子X -在不同程度上，其通过多核NMR光谱法研究和电导率测量。的电子结构1-3和[ 4 ] +在两个复数（中号= 1和3）是通过DFT计算使用一组实际空间债券指标进行研究的。NICS计算证实了[ 4 ] +（M = 1）中中心C 3 NTe环的芳族特征。国际汽联的计算表明[ 4 ] +是路易斯超酸。
更新日期：2020-03-13
中文翻译：
芳族2-亚氨基甲基苯基蝶烯基阳离子。尽管分子内配位的N-配体配体的路易斯超酸
2-（t BuNCH）C 6 H 4 TeCl与弱配位阴离子的银盐AgX {X = O 3 SCF 3，SbF 6或Al [OC（CF 3）3 ] 4 }反应，得到芳基碲烯基盐[2-（t BuNCH）C 6 H 4 Te]（O 3 SCF 3）（1），[2-（t BuNCH）C 6 H 4 Te]（SbF 6）（2）和[2-（t BuNCH）C 6 H 4Te] {Al [OC（CF 3）3 ] 4 }（3），其中包括处于固态的松散缔合的离子对。在溶液中，1-3经受电解解离成tellurenyl阳离子[2-（吨一束）C 6 H ^ 4碲] +（[ 4 ] +）和相应的阴离子X -在不同程度上，其通过多核NMR光谱法研究和电导率测量。的电子结构1-3和[ 4 ] +在两个复数（中号= 1和3）是通过DFT计算使用一组实际空间债券指标进行研究的。NICS计算证实了[ 4 ] +（M = 1）中中心C 3 NTe环的芳族特征。国际汽联的计算表明[ 4 ] +是路易斯超酸。
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