CHEMICAL BONDING IN METALAHETEROCUMULENE COMPLEXES .2. DEMONSTRATION OF A TEMPERATURE-DEPENDENT CONFORMATIONAL DISORDER OF THE METHYL-GROUPS IN [(CO)(5)CRNCN(C2H5)(2)]
Mn. Ohnet et al., CHEMICAL BONDING IN METALAHETEROCUMULENE COMPLEXES .2. DEMONSTRATION OF A TEMPERATURE-DEPENDENT CONFORMATIONAL DISORDER OF THE METHYL-GROUPS IN [(CO)(5)CRNCN(C2H5)(2)], Journal of organometallic chemistry, 490(1-2), 1995, pp. 29-34
During the determination of the crystal structure of [(CO)(5)CrNCN(C2H
5)(2)] by neutron diffraction, a remarkable temperature-dependance of
the intensity of three reference reflections between 100 and 300 K was
accidentally observed. In order to try to understand the nature of th
is phenomenon, the behaviour of this compound as a function of the tem
perature has been studied by differential calorimetry, and by powder a
nd single crystal X-ray diffraction methods. These experiments show ne
ither a phase transition nor a crystal space group modification. The e
xperimental results, supported by a simplified model, suggest a rotati
onal. disorder of the methyl groups near room temperature.