The molecular structure of high- and low-spin 1,1′-dimethyl-manganocene determined by gas phase electron diffraction

Autor:	Svein Samdal, Arne Haaland, Arne Almenningen
Rok vydání:	1978
Předmět:	Chemistry Organic Chemistry Mole fraction Ring (chemistry) Biochemistry Gas phase Inorganic Chemistry Bond length Crystallography Amplitude Electron diffraction Materials Chemistry Molecule Physical and Theoretical Chemistry Spin (physics)
Zdroj:	Journal of Organometallic Chemistry. 149:219-229
ISSN:	0022-328X
DOI:	10.1016/s0022-328x(00)94124-x
Popis:	The electron diffraction pattern of 1,1′-dimethyl-manganocene has been recorded from s = 3.00 to 42.00 A−1. The gas is found to contain two geometrically distinct species. The most abundant species, mole fraction x = 0.62(4), has a MnC bond distance R(MnC) = 2.433(8) A and vibrational amplitude (MnC) = 0.111(8) A. By comparison with the structure of the essentially high-spin complex (C5H5)2 Mn where R(MnC) = 2.38 A, it is concluded that the most abundant species is in the high-spin, 6 A 1 g , state. The less abundant species, x = 0.38(4), has an MnC bond distance R(MnC) = 2.144(12) A and vibrational amplitude (MnC) = 0.160(16) A. This species is assumed to be in a low-spin, 2 E 2 g , state. The large MnC vibrational amplitude of the low-spin species is consistent with the existence of a dynamic Jahn-Teller effect involving the ring tilting modes.
Databáze:	OpenAIRE
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