The vibrational inelastic neutron scattering spectrum of dodecahedrane: Experiment and DFT simulation

Bruce S. Hudson; Dale A. Braden; Stewart F. Parker; Horst Prinzbach

doi:10.1002/(SICI)1521-3773(20000204)39:3<514::AID-ANIE514>3.0.CO;2-B

The vibrational inelastic neutron scattering spectrum of dodecahedrane: Experiment and DFT simulation

Bruce S. Hudson, Dale A. Braden, Stewart F. Parker, Horst Prinzbach

Department of Chemistry

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

27 Scopus citations

Abstract

Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I(h)symmetrical molecule dodecahedrane, the resulting spectrum agrees with a DFT calculation.

Original language	English (US)
Pages (from-to)	514-516
Number of pages	3
Journal	Angewandte Chemie - International Edition
Volume	39
Issue number	3
DOIs	https://doi.org/10.1002/(SICI)1521-3773(20000204)39:3<514::AID-ANIE514>3.0.CO;2-B
State	Published - Feb 4 2000

Keywords

Density functional calculations
Hydrocarbons
Neutron scattering
Vibrational spectroscopy

ASJC Scopus subject areas

Catalysis
General Chemistry

Access to Document

10.1002/(SICI)1521-3773(20000204)39:3<514::AID-ANIE514>3.0.CO;2-B

Cite this

@article{538184c10a5546269b2d5a81b65764c4,

title = "The vibrational inelastic neutron scattering spectrum of dodecahedrane: Experiment and DFT simulation",

abstract = "Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I(h)symmetrical molecule dodecahedrane, the resulting spectrum agrees with a DFT calculation.",

keywords = "Density functional calculations, Hydrocarbons, Neutron scattering, Vibrational spectroscopy",

author = "Hudson, {Bruce S.} and Braden, {Dale A.} and Parker, {Stewart F.} and Horst Prinzbach",

year = "2000",

month = feb,

day = "4",

doi = "10.1002/(SICI)1521-3773(20000204)39:3<514::AID-ANIE514>3.0.CO;2-B",

language = "English (US)",

volume = "39",

pages = "514--516",

journal = "Angewandte Chemie - International Edition",

issn = "1433-7851",

publisher = "John Wiley and Sons Ltd",

number = "3",

}

TY - JOUR

T1 - The vibrational inelastic neutron scattering spectrum of dodecahedrane

T2 - Experiment and DFT simulation

AU - Hudson, Bruce S.

AU - Braden, Dale A.

AU - Parker, Stewart F.

AU - Prinzbach, Horst

PY - 2000/2/4

Y1 - 2000/2/4

N2 - Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I(h)symmetrical molecule dodecahedrane, the resulting spectrum agrees with a DFT calculation.

AB - Vibrational frequencies that are forbidden in Raman and IR absorption can be observed by inelastic neutron scattering. In the case of the I(h)symmetrical molecule dodecahedrane, the resulting spectrum agrees with a DFT calculation.

KW - Density functional calculations

KW - Hydrocarbons

KW - Neutron scattering

KW - Vibrational spectroscopy

UR - http://www.scopus.com/inward/record.url?scp=0034603101&partnerID=8YFLogxK

UR - http://www.scopus.com/inward/citedby.url?scp=0034603101&partnerID=8YFLogxK

U2 - 10.1002/(SICI)1521-3773(20000204)39:3<514::AID-ANIE514>3.0.CO;2-B

DO - 10.1002/(SICI)1521-3773(20000204)39:3<514::AID-ANIE514>3.0.CO;2-B

M3 - Article

AN - SCOPUS:0034603101

SN - 1433-7851

VL - 39

SP - 514

EP - 516

JO - Angewandte Chemie - International Edition

JF - Angewandte Chemie - International Edition

IS - 3

ER -

The vibrational inelastic neutron scattering spectrum of dodecahedrane: Experiment and DFT simulation

Abstract

Keywords

ASJC Scopus subject areas

Access to Document

Other files and links

Fingerprint

Cite this