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

AM Ja'o, SL Masters, DA Wann… - The Journal of …, 2019 - ACS Publications
In situ dehydrogenation of azetidine–BH3, which is a candidate for hydrogen storage, was
observed with the parent and dehydrogenated analogue subjected to rigorous structural and …

Effect of charge transfer on the first hyper-polarizability of N, N-dimethylaniline and julolidine: a DFT based comparative study

U Mandal, H Beg, A Misra - Journal of Molecular Modeling, 2023 - Springer
Context Quantum mechanical calculations involving electron correlation, frequency
dispersion, and solvent effects were carried out to examine the second-order nonlinear …

Structural and thermochemical studies of pyrrolidine borane and piperidine borane by gas electron diffraction and quantum chemical calculations

AM Ja'o, DA Wann, CD Rankine, JPF Nunes… - Structural Chemistry, 2021 - Springer
The gaseous structures, thermochemical properties and dehydrogenation reaction energy
profiles of the borane complexes of pyrrolidine and piperidine have been investigated using …

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

M Aliyu, DA Wann, CD Rankine… - Australian Journal of …, 2020 - CSIRO Publishing
The molecular structure of morpholine borane complex has been studied in the solid state
and gas phase using single-crystal X-ray diffraction, gas electron diffraction, and …

Ultrafast and three-dimensional diffractive imaging of isolated molecules with electron pulses

JPF Nunes, M Centurion - Advances In Atomic, Molecular, and Optical …, 2019 - Elsevier
The conversion of light into other forms of energy at the molecular level is an essential
mechanism in some of nature's most ubiquitous processes, such as vision, photosynthesis …

Volatile and Thermally Stable Polymeric Tin Trifluoroacetates

G Bacic, CD Rankine, JD Masuda, DA Wann… - Inorganic …, 2020 - ACS Publications
Tin trifluoroacetates are effective vapor phase single-source precursors for F-doped SnO2,
but their structures have been poorly understood for decades. Here we undertook a …

Designing New Atomic Layer Deposition Precursors for Third-Generation Photovoltaics

GI Bacic - 2021 - repository.library.carleton.ca
Atomic layer deposition (ALD) holds a critical position in nanofabrication because of its
uniformity, conformality, and subnanometer thickness control. Its abilities arise from its …

Supramolecular Organization and Evaporation of Polymeric Tin Trifluoroacetates

G Bacic, CD Rankine, JD Masuda, DA Wann, S Barry - 2019 - chemrxiv.org
Simple tin carboxylates make up a family of important industrial catalysts and precursors for
deposition of SnO2 thin films. However, their structures remain disparately characterized …

Structure and Dynamics by Experiment and Theory: Concerted Applications of Gas Electron Diffraction and Computational Chemistry

CD Rankine - 2019 - etheses.whiterose.ac.uk
To plan and prepare the strongest research proposals for time-resolved gas electron
diffraction (TRGED) experiments, the author has launched and overseen the development of …

[引用][C] Supramolecular Organization and Evaporation of Polymeric Tin Trifluoroacetates

G Bačić, CD Rankine, JD Masuda, DA Wann, ST Barryc