the present molecule is too simple to distinguish the out-of-plane oxygen vibration from the rigid body libration of the whole molecule. Concluding remarksIn the present calculations, ordinary spherical scattering factors were used for the carbon and hydrogen atoms, and the effect of bond scattering factor (McWeeny, 1952) and the possibility of the charge transfer as a result of the hydrogen bond (Tsubomura, 1954) were completely neglected. In this respect, the present treatment is still too naive to discuss the distribution of valence electrons. Also, an R value of around 10% is sufficient to determine the atomic positions, but not enough to discuss the effect of bonding. This will be the limit of the ordinary photographic measurement of diffraction intensity.One aim of this paper, however, is to show that even at this level of accuracy the introduction of the aspherical atomic scattering factor can improve the results of structure analyses.In the present study, the changes in bond distances and angles were negligible. However, this result should not be considered to be general. If an atom is not centrosymmetric, the imaginary component in equation (10) will introduce the shift of the positional parameter, as discussed by Dawson (1964a).It can be seen from Table 6, that there still remains a small but systematic discrepancy of the Un component of the oxygen atom. This may be due to the effect of bonding.In order to clarify these points, accurate counter measurements at various temperatures are now being planned.
A novel molecular complex of tetramethyltetrathiafulvalene (TMTTF) was prepared by the treatment with TiF4. The X-ray analysis reveals the exsistence of a trimer of TMTTF’s and a Ti2F102− anion in a triclinic unit cell of the dimension; a = 10.934(3), b = 12.798(2), c = 8.000(1) Å, α = 103.86(1), β = 107.08(2), γ = 75.02(2)°. All the molecular planes of TMTTF are nearly parallel. The trimers stack parallel to the a axis, and the intertrimer interaction is estimated to be weak. A semiconductive behavior with a relatively large Seebeck coefficient was observed (ρ = 3 × 102 Ω cm, Ea = 0.26 eV, and S = −0.41 mV K−1 along the a axis). Weak electron spin resonance (ESR) absorption was observed to be characteristic of low-dimensional diffusive spin systems.
scite is a Brooklyn-based organization that helps researchers better discover and understand research articles through Smart Citations–citations that display the context of the citation and describe whether the article provides supporting or contrasting evidence. scite is used by students and researchers from around the world and is funded in part by the National Science Foundation and the National Institute on Drug Abuse of the National Institutes of Health.
hi@scite.ai
10624 S. Eastern Ave., Ste. A-614
Henderson, NV 89052, USA
Copyright © 2024 scite LLC. All rights reserved.
Made with 💙 for researchers
Part of the Research Solutions Family.