Application of frustrated Lewis pairs in small molecule activation and associated transformations

Dandan Jiang; Manas Ghara; Sudip Pan; Lili Zhao; Pratim Kumar Chattaraj

doi:10.1016/B978-0-12-822943-9.00023-1

Application of frustrated Lewis pairs in small molecule activation and associated transformations

Dandan Jiang, Manas Ghara, Sudip Pan, Lili Zhao, Pratim Kumar Chattaraj

School of Chemistry and Moleculai Engineering

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

Abstract

The chemistry of frustrated Lewis pair (FLP) is enriching rapidly. The present chapter provides a survey of several experimental work on FLPs and mechanistic insights into their reactivity from electronic structure theory calculation. The results of quantum chemical calculations in understanding the mechanism of H2 activation is clearly demonstrated in this chapter, which would help in designing more effective catalysts of H2 activation. NO, CO, CO₂, SO₂, N₂O, alkenes, alkynes, etc., small molecules become activated by cooperative action of both the Lewis centers of FLP as demonstrated by different computational study. Nucleus-independent chemical shift (NICS) analysis illustrates the role of aromaticity in decreasing the activation barrier for the activation of H₂ and other small molecules by FLP. Hydrogenation of imine, nitrile, enamine, aziridine, aldehyde, ketone, alkene, alkyne catalyzed by FLP and the mechanisms of hydrogenation process are discussed here. The term boron-ligand cooperation (BLC) in analogy to the metal ligand cooperation (MLC) has been suggested in order to demonstrate a specific reactivity of some FLPs in the activation of chemical bonds. FLPs containing Al(C₆F₅)₃ as Lewis acid (LA) can polymerize a monomer molecule, which is described in the last section of this chapter.

Original language	English
Title of host publication	Atomic Clusters with Unusual Structure, Bonding and Reactivity
Subtitle of host publication	Theoretical Approaches, Computational Assessment and Applications
Publisher	Elsevier
Pages	387-410
Number of pages	24
ISBN (Electronic)	9780128229439
ISBN (Print)	9780128231012
DOIs	https://doi.org/10.1016/B978-0-12-822943-9.00023-1
State	Published - 1 Jan 2022

Keywords

Associated transformations
Frustrated Lewis pair
Hydrogenation
Small molecule activation
Thermodynamic
Transition metal

Access to Document

10.1016/B978-0-12-822943-9.00023-1

Cite this

Jiang, D., Ghara, M., Pan, S., Zhao, L., & Chattaraj, P. K. (2022). Application of frustrated Lewis pairs in small molecule activation and associated transformations. In Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications (pp. 387-410). Elsevier. https://doi.org/10.1016/B978-0-12-822943-9.00023-1

@inbook{5a5194f3db604cc2b70e769ae92a7331,

title = "Application of frustrated Lewis pairs in small molecule activation and associated transformations",

abstract = "The chemistry of frustrated Lewis pair (FLP) is enriching rapidly. The present chapter provides a survey of several experimental work on FLPs and mechanistic insights into their reactivity from electronic structure theory calculation. The results of quantum chemical calculations in understanding the mechanism of H2 activation is clearly demonstrated in this chapter, which would help in designing more effective catalysts of H2 activation. NO, CO, CO2, SO2, N2O, alkenes, alkynes, etc., small molecules become activated by cooperative action of both the Lewis centers of FLP as demonstrated by different computational study. Nucleus-independent chemical shift (NICS) analysis illustrates the role of aromaticity in decreasing the activation barrier for the activation of H2 and other small molecules by FLP. Hydrogenation of imine, nitrile, enamine, aziridine, aldehyde, ketone, alkene, alkyne catalyzed by FLP and the mechanisms of hydrogenation process are discussed here. The term boron-ligand cooperation (BLC) in analogy to the metal ligand cooperation (MLC) has been suggested in order to demonstrate a specific reactivity of some FLPs in the activation of chemical bonds. FLPs containing Al(C6F5)3 as Lewis acid (LA) can polymerize a monomer molecule, which is described in the last section of this chapter.",

keywords = "Associated transformations, Frustrated Lewis pair, Hydrogenation, Small molecule activation, Thermodynamic, Transition metal",

author = "Dandan Jiang and Manas Ghara and Sudip Pan and Lili Zhao and Chattaraj, {Pratim Kumar}",

year = "2022",

month = jan,

day = "1",

doi = "10.1016/B978-0-12-822943-9.00023-1",

language = "英语",

isbn = "9780128231012",

pages = "387--410",

booktitle = "Atomic Clusters with Unusual Structure, Bonding and Reactivity",

publisher = "Elsevier",

address = "荷兰",

}

Application of frustrated Lewis pairs in small molecule activation and associated transformations. / Jiang, Dandan; Ghara, Manas; Pan, Sudip et al.
Atomic Clusters with Unusual Structure, Bonding and Reactivity: Theoretical Approaches, Computational Assessment and Applications. Elsevier, 2022. p. 387-410.

Research output: Chapter in Book/Report/Conference proceeding › Chapter › peer-review

TY - CHAP

T1 - Application of frustrated Lewis pairs in small molecule activation and associated transformations

AU - Jiang, Dandan

AU - Ghara, Manas

AU - Pan, Sudip

AU - Zhao, Lili

AU - Chattaraj, Pratim Kumar

PY - 2022/1/1

Y1 - 2022/1/1

N2 - The chemistry of frustrated Lewis pair (FLP) is enriching rapidly. The present chapter provides a survey of several experimental work on FLPs and mechanistic insights into their reactivity from electronic structure theory calculation. The results of quantum chemical calculations in understanding the mechanism of H2 activation is clearly demonstrated in this chapter, which would help in designing more effective catalysts of H2 activation. NO, CO, CO2, SO2, N2O, alkenes, alkynes, etc., small molecules become activated by cooperative action of both the Lewis centers of FLP as demonstrated by different computational study. Nucleus-independent chemical shift (NICS) analysis illustrates the role of aromaticity in decreasing the activation barrier for the activation of H2 and other small molecules by FLP. Hydrogenation of imine, nitrile, enamine, aziridine, aldehyde, ketone, alkene, alkyne catalyzed by FLP and the mechanisms of hydrogenation process are discussed here. The term boron-ligand cooperation (BLC) in analogy to the metal ligand cooperation (MLC) has been suggested in order to demonstrate a specific reactivity of some FLPs in the activation of chemical bonds. FLPs containing Al(C6F5)3 as Lewis acid (LA) can polymerize a monomer molecule, which is described in the last section of this chapter.

AB - The chemistry of frustrated Lewis pair (FLP) is enriching rapidly. The present chapter provides a survey of several experimental work on FLPs and mechanistic insights into their reactivity from electronic structure theory calculation. The results of quantum chemical calculations in understanding the mechanism of H2 activation is clearly demonstrated in this chapter, which would help in designing more effective catalysts of H2 activation. NO, CO, CO2, SO2, N2O, alkenes, alkynes, etc., small molecules become activated by cooperative action of both the Lewis centers of FLP as demonstrated by different computational study. Nucleus-independent chemical shift (NICS) analysis illustrates the role of aromaticity in decreasing the activation barrier for the activation of H2 and other small molecules by FLP. Hydrogenation of imine, nitrile, enamine, aziridine, aldehyde, ketone, alkene, alkyne catalyzed by FLP and the mechanisms of hydrogenation process are discussed here. The term boron-ligand cooperation (BLC) in analogy to the metal ligand cooperation (MLC) has been suggested in order to demonstrate a specific reactivity of some FLPs in the activation of chemical bonds. FLPs containing Al(C6F5)3 as Lewis acid (LA) can polymerize a monomer molecule, which is described in the last section of this chapter.

KW - Associated transformations

KW - Frustrated Lewis pair

KW - Hydrogenation

KW - Small molecule activation

KW - Thermodynamic

KW - Transition metal

UR - http://www.scopus.com/inward/record.url?scp=85142844340&partnerID=8YFLogxK

U2 - 10.1016/B978-0-12-822943-9.00023-1

DO - 10.1016/B978-0-12-822943-9.00023-1

M3 - 章节

AN - SCOPUS:85142844340

SN - 9780128231012

SP - 387

EP - 410

BT - Atomic Clusters with Unusual Structure, Bonding and Reactivity

PB - Elsevier

ER -

Application of frustrated Lewis pairs in small molecule activation and associated transformations

Abstract

Keywords

Access to Document

Other files and links

Fingerprint

Cite this