Tri(phosphorano)borazinium-Ionen

Michael Möhlen; Bernhard Neumüller; Klaus Harms; Harald Krautscheid; Dieter Fenske; Michael Diedenhofen; Gernot Frenking; Kurt Dehnicke

doi:10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.3.co;2-k

Tri(phosphorano)borazinium-Ionen

Translated title of the contribution: Tri(phosphorano)borazinium Ions

Michael Möhlen, Bernhard Neumüller, Klaus Harms, Harald Krautscheid, Dieter Fenske, Michael Diedenhofen, Gernot Frenking, Kurt Dehnicke

Research output: Contribution to journal › Article › peer-review

13 Scopus citations

Abstract

The synthesis, structures, and quantum-chemical calculations of tri(phosphorano)borazinium ions are reported for the first time. [HBNPEt₃]₃³⁺(I^-)₃ (6) and [H₄B₃(NPEt₃)₃]²⁺(I ^-)₂ (7) originate from iodine acting on the borane adduct at trimethylsilyltriethylphosphoraneimine. With acetonitrile 6 reacts under formation of [{HBNPEt₃}₃CH₃CN]³⁺(I ^-)₃ · CH₃CN (8). While 6 forms an almost planar B₃N₃ six-membered ring with BN distances of 143 pm, which are equivalent to those in borazine molecules, in 7 and 8 one boron atom at a time is sp³ hybridized due to an additional bonding with a hydride ligand and to the adduct formation with acetonitrile, respectively. The quantum-chemical calculations suggest relatively polar B-N bonds.

Translated title of the contribution	Tri(phosphorano)borazinium Ions
Original language	German
Pages (from-to)	1105-1110
Number of pages	6
Journal	Zeitschrift fur Anorganische und Allgemeine Chemie
Volume	624
Issue number	7
DOIs	https://doi.org/10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.3.co;2-k
State	Published - Jul 1998
Externally published	Yes

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@article{f2089c6e984e41eab13d48ca296d2d6a,

title = "Tri(phosphorano)borazinium-Ionen",

abstract = "The synthesis, structures, and quantum-chemical calculations of tri(phosphorano)borazinium ions are reported for the first time. [HBNPEt3]33+(I-)3 (6) and [H4B3(NPEt3)3]2+(I -)2 (7) originate from iodine acting on the borane adduct at trimethylsilyltriethylphosphoraneimine. With acetonitrile 6 reacts under formation of [{HBNPEt3}3CH3CN]3+(I -)3 · CH3CN (8). While 6 forms an almost planar B3N3 six-membered ring with BN distances of 143 pm, which are equivalent to those in borazine molecules, in 7 and 8 one boron atom at a time is sp3 hybridized due to an additional bonding with a hydride ligand and to the adduct formation with acetonitrile, respectively. The quantum-chemical calculations suggest relatively polar B-N bonds.",

keywords = "Ab initio Calculations, Borazinium Ions, Boron, Crystal Structures, Phosphorus",

author = "Michael M{\"o}hlen and Bernhard Neum{\"u}ller and Klaus Harms and Harald Krautscheid and Dieter Fenske and Michael Diedenhofen and Gernot Frenking and Kurt Dehnicke",

year = "1998",

month = jul,

doi = "10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.3.co;2-k",

language = "德语",

volume = "624",

pages = "1105--1110",

journal = "Zeitschrift fur Anorganische und Allgemeine Chemie",

issn = "0044-2313",

publisher = "Wiley-VCH Verlag",

number = "7",

}

TY - JOUR

T1 - Tri(phosphorano)borazinium-Ionen

AU - Möhlen, Michael

AU - Neumüller, Bernhard

AU - Harms, Klaus

AU - Krautscheid, Harald

AU - Fenske, Dieter

AU - Diedenhofen, Michael

AU - Frenking, Gernot

AU - Dehnicke, Kurt

PY - 1998/7

Y1 - 1998/7

N2 - The synthesis, structures, and quantum-chemical calculations of tri(phosphorano)borazinium ions are reported for the first time. [HBNPEt3]33+(I-)3 (6) and [H4B3(NPEt3)3]2+(I -)2 (7) originate from iodine acting on the borane adduct at trimethylsilyltriethylphosphoraneimine. With acetonitrile 6 reacts under formation of [{HBNPEt3}3CH3CN]3+(I -)3 · CH3CN (8). While 6 forms an almost planar B3N3 six-membered ring with BN distances of 143 pm, which are equivalent to those in borazine molecules, in 7 and 8 one boron atom at a time is sp3 hybridized due to an additional bonding with a hydride ligand and to the adduct formation with acetonitrile, respectively. The quantum-chemical calculations suggest relatively polar B-N bonds.

AB - The synthesis, structures, and quantum-chemical calculations of tri(phosphorano)borazinium ions are reported for the first time. [HBNPEt3]33+(I-)3 (6) and [H4B3(NPEt3)3]2+(I -)2 (7) originate from iodine acting on the borane adduct at trimethylsilyltriethylphosphoraneimine. With acetonitrile 6 reacts under formation of [{HBNPEt3}3CH3CN]3+(I -)3 · CH3CN (8). While 6 forms an almost planar B3N3 six-membered ring with BN distances of 143 pm, which are equivalent to those in borazine molecules, in 7 and 8 one boron atom at a time is sp3 hybridized due to an additional bonding with a hydride ligand and to the adduct formation with acetonitrile, respectively. The quantum-chemical calculations suggest relatively polar B-N bonds.

KW - Ab initio Calculations

KW - Borazinium Ions

KW - Boron

KW - Crystal Structures

KW - Phosphorus

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U2 - 10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.3.co;2-k

DO - 10.1002/(sici)1521-3749(199807)624:7<1105::aid-zaac1105>3.3.co;2-k

M3 - 文章

AN - SCOPUS:0039817612

SN - 0044-2313

VL - 624

SP - 1105

EP - 1110

JO - Zeitschrift fur Anorganische und Allgemeine Chemie

JF - Zeitschrift fur Anorganische und Allgemeine Chemie

IS - 7

ER -

Tri(phosphorano)borazinium-Ionen

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