4755-98-0Relevant academic research and scientific papers
COMPOUND, POLYMERIZABLE COMPOSITION, RESIN, AND USE OF THE COMPOSITION AND THE RESIN
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Page/Page column 30, (2011/05/05)
Disclosed is a compound represented by the following general formula (1), wherein, in the formula, M1 represents Sb or Bi; X1 and X2 each independently represent a sulfur atom or an oxygen atom; R1 represents a divalent organic group; Y1 represents a monovalent inorganic or organic group; a represents a number of 1 or 2; b represents a number of 0 or an integer of not less than 1; c represents an integer of not less than 1 and not more than d; d represents a valence of M1; when d-c is not less than 2, a plurality of Y1s each independently represent a monovalent inorganic or organic group and may be bonded to each other to form an M1-containing ring; and e represents a number of 0 or an integer of not less than 1.
Conformational Composition in the Gas Phase and in Solution, Structure and Intramolecular Hydrogen Bonding of Thiiranemethanethiol as Studied by Microwave and NMR Spectroscopy and Ab Initio Calculations
Marstokk, K.-M.,Moellendal, Harald,Stenstroem, Yngve
, p. 711 - 719 (2007/10/02)
The microwave spectrum of thiiranemethanethiol and one deuterated species (mercapto group) has been investigated in the gas phase in the 18.0-39.0 GHz spectral region at -15 deg C.Four conformers were assigned.Three of these possess a weak intramolecular hydrogen bond, while the fourth rotamer is not stabilized by this interaction.The most stable rotamer is denoted H bond outer 2.This conformer has an internal hydrogen bond formed between the mercapto group hydrogen atom and the pseudo-? electrons along the C-C edge of the thiirane ring.The next rotamer, H bond outer 1, is 0.9(3) kJ mol-1 less stable than H bond outer 2.The internal H bond is formed between the mercapto group hydrogen atom and the pseudo-? electrons of the C-S bond of the ring in H bond outer 1.The third conformer, H bond inner, which is 1.4(3) kJ mol-1 less stable than H bond outer 2, has a S-H...S hydrogen bond.The fourth rotamer assigned is denoted Conformer IV.It is 3.5(4) kJ mol-1 less stable than H bond outer 2 and has no hydrogen bond.Conformer IV is similar to H bond outer 2, with the exception that the H-S-C-C dihedral angle is approximately 180 deg, compared to 60 deg in H bond outer 2.The microwave work has been assisted by ab initio computations at the 6-31G* and MP2/6-31G* levels of theory.A detailed NMR analysis of the conformational composition of the title compound in dilute CDCl3 solution has been performed.The ratio of H bond outer 2:H bond outer 1:H bond inner was found to be 43:23:34.This is similar to the composition in the gas phase.
