List of works - Sarah Masters

1,1,2-Tri-tert-butyldisilane, But2HSiSiH2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations

A Diverse View of Science to Catalyse Change

scientific article published on 17 August 2020

A diverse view of science to catalyse change

scientific article published on 17 August 2020

A diverse view of science to catalyse change: valuing diversity leads to scientific excellence, the progress of science and, most importantly, it is simply the right thing to do. We must value diversity not only in words, but also in actions

scientific article published in 2020

Additivity of Ring Distortions in Halogen-Substituted Aromatics: a Gas-Phase Electron Diffraction and Computational Study

scientific article published on 21 July 2007

An experimental and theoretical study of the molecular structure and vibrational spectra of iodotrimethylsilane (SiIMe3).

scientific article published on 8 November 2005

Assessing the sensitivity of the hydroxyl radical to model biases in composition and temperature using a single-column photochemical model for Lauder, New Zealand

scholarly article

Bis(tert-butyl)sulfurdiimide, S(NBut)2, and tris(tert-butyl)sulfurtriimide, S(NBut)3: structures by gas electron diffraction, X-ray crystallography and ab initio calculations

article

Combined Experimental Studies and Theoretical Calculations To Yield the Complete Molecular Structure and Vibrational Spectra of (CH3)3GeH

scientific article published on 01 April 2009

Conformational Analysis with Both Experimental and Computational Data for Both Gaseous and Crystalline Phases: Unexpected Interactions inN-Methyldichloroacetamide

Detecting low-level flexibility using residual dipolar couplings: a study of the conformation of cellobiose

scientific article published on 01 November 2013

Determination of sugar structures in solution from residual dipolar coupling constants: methodology and application to methyl beta-D-xylopyranoside

scientific article published in October 2004

Direct Experimental Observation of in situ Dehydrogenation of an Amine-Borane System Using Gas Electron Diffraction

scientific article published on 31 July 2019

Do halogen and methyl substituents have electronic effects on the structures of simple disilanes? An experimental and theoretical study of the molecular structures of the series X3SiSiMe3 (X = H, F, Cl and Br)

Dramatic Structural Effects of a Single Hydrogen Atom in HNPBut3

scientific article published on 01 September 2004

Dynamic interaction of theory and experiment: total determination of the gas-phase molecular structure of tri-tert-butylphosphine oxide (OPBut3).

scientific article published on 19 December 2003

Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program

scientific article published on 6 September 2017

Gas-Phase Structures of Ketene and Acetic Acid from Acetic Anhydride Using Very-High-Temperature Gas Electron Diffraction

scientific article

Gas-phase molecular structure of 1,1,1,2-tetrabromo-2,2-dimethyldisilane: theoretical and experimental investigation of a super-halogenated disilane and computational investigation of the F, Cl and I analogues

Gas-phase structures of aminodifluorophosphines determined using electron diffraction data and computational techniques

scientific article

Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods: 1,1,2,2-tetrakis(trimethylsilyl)disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane

scientific article published on 30 May 2014

Highly asymmetric coordination in alkenes: gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene

scientific article published in October 2003

Highly asymmetric coordination of trimethylsilyl groups to tetrazole and triazole rings: an experimental and computational study in gaseous and crystalline phases

scientific article published on 16 June 2008

Low symmetry in molecules with heavy peripheral atoms. The gas-phase structure of perfluoro(methylcyclohexane), C6F11CF3.

scientific article published on October 2010

Molecular Structure of 1,2-Bis(trifluoromethyl)-1,1,2,2-tetramethyldisilane in the Gas, Liquid, and Solid Phases: Unusual Conformational Changes between Phases

scientific article published on 17 October 2014

Molecular Structures of the Digermanes Me2XGeGeXMe2(X = Me, Cl, and H): An Ab Initio Study Combined with Experimental Investigation by Raman Spectroscopy and Gas Electron Diffraction

scientific article published on 18 March 2008

Molecular structure and vibrational spectra of iodotrimethylgermane (GeIMe3) by theory and experiment

scientific article published on 12 July 2007

Molecular structure of 1,1,2,2-tetra-tert-butyldisilane: unusual structural motifs in sterically crowded disilanes

scientific article published on 9 February 2004

Molecular structure of tris(dipivaloylmethanato)lutetium(iii) studied by gas electron diffraction and ab initio and DFT calculations

scientific article published on 5 May 2004

Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations

scientific article published on 24 August 2005

Molecular structures of the 1,6-disubstituted triptycenes Sb2(C6F4)3and Bi2(C6F4)3using gas-phase electron diffraction and ab initio and DFT calculations

scientific article published on 12 December 2005

Molecular structures of vinylarsine, vinyldichloroarsine and arsine studied by gas-phase electron diffraction and quantum chemical calculations

More user-friendly phosphines? Molecular structure of methylphosphine and its adduct with borane, studied by gas-phase electron diffraction and quantum chemical calculations

scientific article

Multiple bonding versus cage formation in organophosphorus compounds: the gas-phase structures of tricyclo-P3(CBu(t))2Cl and P≡C-Bu(t) determined by electron diffraction and computational methods

scientific article published on 11 April 2011

New chemistry of 1,2-closo-P2B10H10 and 1,2-closo-As2B10H10; in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes

scientific article published on 10 June 2011

Persistent phosphinyl radicals from a bulky diphosphine: an example of a molecular jack-in-the-box

Phase field model of faceted anatase TiO2 dendrites in low pressure chemical vapor deposition

Primary phosphines studied by gas-phase electron diffraction and quantum chemical calculations. Are they different from amines?

scientific article published in September 2009

Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1

scientific article published on 01 September 2001

Steric and electronic effects on Si–Ge bond lengths: An experimental and theoretical structural study of Me2Ge(SiCl3)2 and Me3GeSiCl3

Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups

scientific article published in May 2005

Strong intramolecular secondary si.N bonds in trifluorosilylhydrazines

scientific article

Structural Tungsten-Imido Chemistry: The Gas-Phase Structure of W(NBut)2(NHBut)2and the Solid-State Structures of Novel Heterobimetallic W/N/M (M = Rh, Pd, Zn) Species

scientific article published on 01 March 2009

Structure by theory and experiment: One nationality, two languages

Structure enhancement methodology using theory and experiment: gas-phase molecular structures using a dynamic interaction between electron diffraction, molecular mechanics, and ab initio data.

scientific article

Structures of Tetrasilylmethane Derivatives (XMe2Si)2C(SiMe3)2 (X = H, Cl, Br) in the Gas Phase, and their Dynamic Structures in Solution

scientific article published on 20 January 2015

Structures of Tetrasilylmethane Derivatives C(SiXMe2)4 (X=H, F, Cl, Br) in the Gas Phase and their Dynamic Structures in Solution

Study of precursor chemistry and solvent systems in pp-MOCVD processing with alumina case study

Supersilyl radicals from the dissociation of superdisilane observed by gas electron diffraction

scientific article published on 04 April 2007

The gas-phase structure and some reactions of the bulky primary silane (Me3Si)3CSiH3 and the solid-state structure of the bulky dialkyl disilane [(Me3Si)3CSiH2]2

scientific article published on 10 August 2010

The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

scientific article published on 04 May 2010

The molecular structure of Sc(hfa)3 (hfa=1,1,1,5,5,5-hexafluoropentane-2,4-dionato) studied by gas electron diffraction and ab initio and DFT calculations

The molecular structure of [Sn(P2C2But2)] using gas-phase electron diffraction and DFT calculations

scientific article published on 03 May 2005

The molecular structure of tetra-tert-butyldiphosphine: an extremely distorted, sterically crowded molecule

scientific article

The molecular structure of using gas-phase electron diffraction and ab initio and DFT calculations

The re-determination of the molecular structure of antimony(III) oxide using very-high-temperature gas electron diffraction (VHT-GED).

scientific article published on 3 January 2013

The strength of hydrogen bonding to metal-bound ligands can contribute to changes in the redox behaviour of metal centres

scientific article published on 09 February 2006

The structures of higher boron halides B8X12(X = F, Cl, Br and I) by gas-phase electron diffraction and ab initio calculations

scientific article published on 11 January 2005

List of works by Sarah Masters

1,1,2-Tri-tert-butyldisilane, But2HSiSiH2But: vibrational spectra and molecular structure in the gas phase by electron diffraction and ab initio calculations

A Diverse View of Science to Catalyse Change

A diverse view of science to catalyse change

A diverse view of science to catalyse change: valuing diversity leads to scientific excellence, the progress of science and, most importantly, it is simply the right thing to do. We must value diversity not only in words, but also in actions

Additivity of Ring Distortions in Halogen-Substituted Aromatics: a Gas-Phase Electron Diffraction and Computational Study

An experimental and theoretical study of the molecular structure and vibrational spectra of iodotrimethylsilane (SiIMe3).

Assessing the sensitivity of the hydroxyl radical to model biases in composition and temperature using a single-column photochemical model for Lauder, New Zealand

Bis(tert-butyl)sulfurdiimide, S(NBut)2, and tris(tert-butyl)sulfurtriimide, S(NBut)3: structures by gas electron diffraction, X-ray crystallography and ab initio calculations

Combined Experimental Studies and Theoretical Calculations To Yield the Complete Molecular Structure and Vibrational Spectra of (CH3)3GeH

Conformational Analysis with Both Experimental and Computational Data for Both Gaseous and Crystalline Phases: Unexpected Interactions inN-Methyldichloroacetamide

Detecting low-level flexibility using residual dipolar couplings: a study of the conformation of cellobiose

Determination of sugar structures in solution from residual dipolar coupling constants: methodology and application to methyl beta-D-xylopyranoside

Direct Experimental Observation of in situ Dehydrogenation of an Amine-Borane System Using Gas Electron Diffraction

Do halogen and methyl substituents have electronic effects on the structures of simple disilanes? An experimental and theoretical study of the molecular structures of the series X3SiSiMe3 (X = H, F, Cl and Br)

Dramatic Structural Effects of a Single Hydrogen Atom in HNPBut3

Dynamic interaction of theory and experiment: total determination of the gas-phase molecular structure of tri-tert-butylphosphine oxide (OPBut3).

Embracing chemical and structural diversity with UCONGA: A universal conformer generation and analysis program

Gas-Phase Structures of Ketene and Acetic Acid from Acetic Anhydride Using Very-High-Temperature Gas Electron Diffraction

Gas-phase molecular structure of 1,1,1,2-tetrabromo-2,2-dimethyldisilane: theoretical and experimental investigation of a super-halogenated disilane and computational investigation of the F, Cl and I analogues

Gas-phase structures of aminodifluorophosphines determined using electron diffraction data and computational techniques

Gas-phase structures of sterically crowded disilanes studied by electron diffraction and quantum chemical methods: 1,1,2,2-tetrakis(trimethylsilyl)disilane and 1,1,2,2-tetrakis(trimethylsilyl)dimethyldisilane

Highly asymmetric coordination in alkenes: gas-phase structures of trans-1,2-dichloro-1,2-disilylethene and 1-bromo-1-silylethene

Highly asymmetric coordination of trimethylsilyl groups to tetrazole and triazole rings: an experimental and computational study in gaseous and crystalline phases

Low symmetry in molecules with heavy peripheral atoms. The gas-phase structure of perfluoro(methylcyclohexane), C6F11CF3.

Molecular Structure of 1,2-Bis(trifluoromethyl)-1,1,2,2-tetramethyldisilane in the Gas, Liquid, and Solid Phases: Unusual Conformational Changes between Phases

Molecular Structures of the Digermanes Me2XGeGeXMe2(X = Me, Cl, and H): An Ab Initio Study Combined with Experimental Investigation by Raman Spectroscopy and Gas Electron Diffraction

Molecular structure and vibrational spectra of iodotrimethylgermane (GeIMe3) by theory and experiment

Molecular structure of 1,1,2,2-tetra-tert-butyldisilane: unusual structural motifs in sterically crowded disilanes

Molecular structure of tris(dipivaloylmethanato)lutetium(iii) studied by gas electron diffraction and ab initio and DFT calculations

Molecular structures of Se(SCH3)2 and Te(SCH3)2 using gas-phase electron diffraction and ab initio and DFT geometry optimisations

Molecular structures of the 1,6-disubstituted triptycenes Sb2(C6F4)3and Bi2(C6F4)3using gas-phase electron diffraction and ab initio and DFT calculations

Molecular structures of vinylarsine, vinyldichloroarsine and arsine studied by gas-phase electron diffraction and quantum chemical calculations

More user-friendly phosphines? Molecular structure of methylphosphine and its adduct with borane, studied by gas-phase electron diffraction and quantum chemical calculations

Multiple bonding versus cage formation in organophosphorus compounds: the gas-phase structures of tricyclo-P3(CBu(t))2Cl and P≡C-Bu(t) determined by electron diffraction and computational methods

New chemistry of 1,2-closo-P2B10H10 and 1,2-closo-As2B10H10; in silico and gas electron diffraction structures, and new metalladiphospha- and metalladiarsaboranes

Persistent phosphinyl radicals from a bulky diphosphine: an example of a molecular jack-in-the-box

Phase field model of faceted anatase TiO2 dendrites in low pressure chemical vapor deposition

Primary phosphines studied by gas-phase electron diffraction and quantum chemical calculations. Are they different from amines?

Spontaneous Generation of Stable Pnictinyl Radicals from “Jack-in-the-Box” Dipnictines: A Solid-State, Gas-Phase, and Theoretical Investigation of the Origins of Steric Stabilization1

Steric and electronic effects on Si–Ge bond lengths: An experimental and theoretical structural study of Me2Ge(SiCl3)2 and Me3GeSiCl3

Steric and electronic effects on the conformations of n-butane derivatives with trichlorosilyl, silyl and trichloromethyl groups

Strong intramolecular secondary si.N bonds in trifluorosilylhydrazines

Structural Tungsten-Imido Chemistry: The Gas-Phase Structure of W(NBut)2(NHBut)2and the Solid-State Structures of Novel Heterobimetallic W/N/M (M = Rh, Pd, Zn) Species

Structure by theory and experiment: One nationality, two languages

Structure enhancement methodology using theory and experiment: gas-phase molecular structures using a dynamic interaction between electron diffraction, molecular mechanics, and ab initio data.

Structures of Tetrasilylmethane Derivatives (XMe2Si)2C(SiMe3)2 (X = H, Cl, Br) in the Gas Phase, and their Dynamic Structures in Solution

Structures of Tetrasilylmethane Derivatives C(SiXMe2)4 (X=H, F, Cl, Br) in the Gas Phase and their Dynamic Structures in Solution

Study of precursor chemistry and solvent systems in pp-MOCVD processing with alumina case study

Supersilyl radicals from the dissociation of superdisilane observed by gas electron diffraction

The gas-phase structure and some reactions of the bulky primary silane (Me3Si)3CSiH3 and the solid-state structure of the bulky dialkyl disilane [(Me3Si)3CSiH2]2

The gas-phase structure of octaphenyloctasilsesquioxane Si8O12Ph8 and the crystal structures of Si8O12(p-tolyl)8 and Si8O12(p-ClCH2C6H4)8

The molecular structure of Sc(hfa)3 (hfa=1,1,1,5,5,5-hexafluoropentane-2,4-dionato) studied by gas electron diffraction and ab initio and DFT calculations

The molecular structure of [Sn(P2C2But2)] using gas-phase electron diffraction and DFT calculations

The molecular structure of tetra-tert-butyldiphosphine: an extremely distorted, sterically crowded molecule

The molecular structure of using gas-phase electron diffraction and ab initio and DFT calculations

The re-determination of the molecular structure of antimony(III) oxide using very-high-temperature gas electron diffraction (VHT-GED).

The strength of hydrogen bonding to metal-bound ligands can contribute to changes in the redox behaviour of metal centres

The structures of higher boron halides B8X12(X = F, Cl, Br and I) by gas-phase electron diffraction and ab initio calculations

Unusual asymmetry in halobenzenes, a solid-state, gas-phase and theoretical investigation

Utilizing the Combined Power of Theory and Experiment to Understand Molecular Structure – Solid-State and Gas-Phase Investigation of Morpholine Borane