The crystal structure, thermal expansion and far-IR spectrum of propanal (CH3CH2CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques-Reference-Cited by-同舟云学术

The crystal structure, thermal expansion and far-IR spectrum of propanal (CH3CH2CHO) determined using powder X-ray diffraction, neutron scattering, periodic DFT and synchrotron techniques

Published:2022 Issue:1 Volume:24 Page:122-128
ISSN:1463-9076
Container-title:Physical Chemistry Chemical Physics
language:en
Short-container-title:Phys. Chem. Chem. Phys.

Author:

Maynard-Casely Helen E.¹^ORCID,Yevstigneyev Nikita S.²^ORCID,Duyker Samuel G.³,Ennis Courtney²^ORCID

Affiliation:

1. Australian Nuclear Science and Technology Organisation, Locked Bag 2001, Kirrawee DC, NSW, 2232, Australia

2. Department of Chemistry, University of Otago, Dunedin, 9054, New Zealand

3. Sydney Analytical, Core Research Facilities, The University of Sydney, Sydney NSW, 2006, Australia

Abstract

The crystal structure of astromolecule propanal has been determined using powder X-ray diffraction (PXRD) where it is obsereved to crystallise in spacegroup P21/a, Z = 4 with a unit cell parameters a = 8.9833(6) Å, b = 4.2237(2) Å, c = 9.4733(6) Å and β = 97.508(6)°, resulting in a volume of 356.37(4) Å3 at 100 K.

Publisher

Royal Society of Chemistry (RSC)

Subject

Physical and Theoretical Chemistry,General Physics and Astronomy

Link

http://pubs.rsc.org/en/content/articlepdf/2022/CP/D1CP04477J

Reference44 articles.

1. Green Bank Telescope Detection of New Interstellar Aldehydes: Propenal and Propanal

2. The ALMA-PILS survey: First detections of ethylene oxide, acetone and propanal toward the low-mass protostar IRAS 16293-2422

3. Possible gas-phase syntheses for seven neutral molecules studied recently with the Green Bank Telescope

4. Propanal, an interstellar aldehyde – first infrared band strengths and other properties of the amorphous and crystalline forms

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