Indirect synthesis of a pair of formal methane activation products at a phosphane/borane frustrated Lewis pair

被引：8

作者：

Froemel, Silke ^{[1
]}

Daniliuc, Constantin G. ^{[1
]}

Bannwarth, Christoph ^{[2
]}

Grimme, Stefan ^{[2
]}

Bussmann, Kathrin ^{[1
]}

Kehr, Gerald ^{[1
]}

Erker, Gerhard ^{[1
]}

机构：

[1] Univ Munster, Inst Organ Chem, Corrensstr 40, D-48149 Munster, Germany

[2] Univ Bonn, Inst Phys & Theoret Chem, Mulliken Ctr Theoret Chem, Beringstr 4, D-53115 Bonn, Germany

来源：

DALTON TRANSACTIONS | 2016年 / 45卷 / 48期

关键词：

ZETA-VALENCE QUALITY; C-H BORYLATION; POLYMERIZATION CATALYSTS; OLEFIN POLYMERIZATION; NITRIC-OXIDE; BASIS-SETS; CHEMISTRY; REACTIVITY; COMPLEXES; HYDROGEN;

D O I：

10.1039/c6dt04206f

中图分类号：

O61 [无机化学];

学科分类号：

070301 ; 081704 ;

摘要：

The regioisomeric formal Mes(2)PCH(2)CH(2)B(C6F5)(2) FLP methane splitting products Mes(2)P(H)CH2CH2B(CH3)(C6F5)(2) and Mes(2)P(CH3) CH2CH2B(H)(C6F5)(2) were produced by indirect stepwise reactions. They were stable at 60 degrees C and were both characterized by X-ray diffraction. A DFT analysis revealed that their formation from the FLP and CH4 would be endergonic by +6.9 and +3.6 kcal mol(-1), respectively, and it indicated that methane elimination from the zwitterionic products is kinetically hindered by barriers of 54.0 and 72.3 kcal mol(-1), respectively.

引用

页码：19230 / 19233

页数：4

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