Published August 1978 | Version v1
Journal article Metadata-only

13C-1H intermolecular relaxation rate and molecular pair distribution function in liquid acetonitrile

Creators

  • 1. Karlsruhe Univ. (TH) (Germany, F.R.). Inst. fuer Physikalische Chemie und Elektrochemie

Description

The 13C relaxation rate of the nitrile carbon and the self-diffusion coefficient have been investigated for liquid acetonitrile in the temperature range from -40 to 250C. The 13C-1H intermolecular part of the total relaxation rate was determined by isotopic substitution-dilution experiments. - Combined with the known intermolecular proton relaxation rate the orientation dependent molecular pair distribution function was studied. In the first coordination sphere the molecules are arranged most probably in an antiparallel manner, in accordance with a previous x-ray investigation. (orig.)

Abstract (German)

Die 13C-Relaxationsrate des Nitril-C-Atoms und der Selbstdiffusionskoeffizient wurden fuer fluessiges Acetonitril im Temperaturintervall -40 bis 250C gemessen. Die 13C-1H-intermolekulare Rate wurde durch Isotopen-Verduennungsexperimente von der gesamten Relaxationsrate separiert. - Zusammen mit der bekannten intermolekularen Protonenrelaxationsrate lassen sich Aussagen ueber die orientierungsabhaengige molekulare Paarverteilungsfunktion gewinnen. Es ergibt sich eine bevorzugt antiparallele Lage der Molekuele in der ersten Koordinationssphaere, in guter Uebereinstimmung mit einer frueheren Roentgenstrukturuntersuchung dieser Fluessigkeit. (orig.)

Additional details

Publishing Information

Journal Title
Ber. Bunsenges. Phys. Chem.
Journal Volume
82
Journal Issue
8
Series
Ber. Bunsenges. Phys. Chem.
Journal Page Range
783-789

INIS

Country of Publication
Germany
Country of Input or Organization
Germany
INIS RN
10440466
Subject category
S37: INORGANIC, ORGANIC, PHYSICAL AND ANALYTICAL CHEMISTRY; S74: ATOMIC AND MOLECULAR PHYSICS;
Descriptors DEI
CARBON 13; CORRELATION FUNCTIONS; DEUTERIUM COMPOUNDS; DIPOLES; DISTRIBUTION FUNCTIONS; INTERMOLECULAR FORCES; ISOTOPIC EXCHANGE; LIQUIDS; MOLECULAR MODELS; NITRILES; NUCLEAR MAGNETIC RESONANCE; RELAXATION; SELF-DIFFUSION; TEMPERATURE DEPENDENCE
Descriptors DEC
CARBON ISOTOPES; DIFFUSION; EVEN-ODD NUCLEI; FLUIDS; FUNCTIONS; HYDROGEN COMPOUNDS; ISOTOPES; LIGHT NUCLEI; MAGNETIC RESONANCE; MATHEMATICAL MODELS; MULTIPOLES; NUCLEI; ORGANIC COMPOUNDS; ORGANIC NITROGEN COMPOUNDS; RESONANCE; STABLE ISOTOPES