Exploring steric and electronic parameters of biaryl phosphacycles

Jairus L. Lamola; Adedapo S. Adeyinka; Frederick P. Malan; Paseka T. Moshapo; Cedric W. Holzapfel; Munaka Christopher Maumela

doi:10.1039/d1nj05769c

Exploring steric and electronic parameters of biaryl phosphacycles

Jairus L. Lamola, Adedapo S. Adeyinka, Frederick P. Malan, Paseka T. Moshapo, Cedric W. Holzapfel, Munaka Christopher Maumela

Chemical Sciences

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

6 Citations (Scopus)

Abstract

Electronic and steric properties of the newly developed biaryl phosphacycles were quantified from various experimental and theoretical methods. These include user-friendly and rapid packages such as Solid-G, SambVca, and FindConeAngle for the unique steric parameterisation studies of phospho-selenides. Electronic descriptors derived from the ³¹P–⁷⁷Se coupling constants (¹J_P–Se), C–O stretching frequency (n_CO), computed bond enthalpies (DE), and molecular electrostatic potentials (V_min) exhibited moderate to good correlations.

Original language	English
Pages (from-to)	4677-4686
Number of pages	10
Journal	New Journal of Chemistry
Volume	46
Issue number	10
DOIs	https://doi.org/10.1039/d1nj05769c
Publication status	Published - 2022

ASJC Scopus subject areas

Catalysis
General Chemistry
Materials Chemistry

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10.1039/d1nj05769c

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title = "Exploring steric and electronic parameters of biaryl phosphacycles",

abstract = "Electronic and steric properties of the newly developed biaryl phosphacycles were quantified from various experimental and theoretical methods. These include user-friendly and rapid packages such as Solid-G, SambVca, and FindConeAngle for the unique steric parameterisation studies of phospho-selenides. Electronic descriptors derived from the 31P–77Se coupling constants (1JP–Se), C–O stretching frequency (nCO), computed bond enthalpies (DE), and molecular electrostatic potentials (Vmin) exhibited moderate to good correlations.",

author = "Lamola, {Jairus L.} and Adeyinka, {Adedapo S.} and Malan, {Frederick P.} and Moshapo, {Paseka T.} and Holzapfel, {Cedric W.} and Maumela, {Munaka Christopher}",

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language = "English",

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publisher = "Royal Society of Chemistry",

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T1 - Exploring steric and electronic parameters of biaryl phosphacycles

AU - Lamola, Jairus L.

AU - Adeyinka, Adedapo S.

AU - Malan, Frederick P.

AU - Moshapo, Paseka T.

AU - Holzapfel, Cedric W.

AU - Maumela, Munaka Christopher

PY - 2022

Y1 - 2022

N2 - Electronic and steric properties of the newly developed biaryl phosphacycles were quantified from various experimental and theoretical methods. These include user-friendly and rapid packages such as Solid-G, SambVca, and FindConeAngle for the unique steric parameterisation studies of phospho-selenides. Electronic descriptors derived from the 31P–77Se coupling constants (1JP–Se), C–O stretching frequency (nCO), computed bond enthalpies (DE), and molecular electrostatic potentials (Vmin) exhibited moderate to good correlations.

AB - Electronic and steric properties of the newly developed biaryl phosphacycles were quantified from various experimental and theoretical methods. These include user-friendly and rapid packages such as Solid-G, SambVca, and FindConeAngle for the unique steric parameterisation studies of phospho-selenides. Electronic descriptors derived from the 31P–77Se coupling constants (1JP–Se), C–O stretching frequency (nCO), computed bond enthalpies (DE), and molecular electrostatic potentials (Vmin) exhibited moderate to good correlations.

UR - http://www.scopus.com/inward/record.url?scp=85131890394&partnerID=8YFLogxK

U2 - 10.1039/d1nj05769c

DO - 10.1039/d1nj05769c

M3 - Article

AN - SCOPUS:85131890394

SN - 1144-0546

VL - 46

SP - 4677

EP - 4686

JO - New Journal of Chemistry

JF - New Journal of Chemistry

IS - 10

ER -

Exploring steric and electronic parameters of biaryl phosphacycles

Abstract

ASJC Scopus subject areas

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