Topic
Bond length
About: Bond length is a research topic. Over the lifetime, 19966 publications have been published within this topic receiving 498004 citations.
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TL;DR: In this paper, the title compound was obtained by annealing powders of BaO, Nb 2 O 5, Nb, and Si with a BaCl 2 flux in sealed silica tubes.
10 citations
TL;DR: In this paper, the effects of intramolecular hydrogen bonding on coordination geometry of a relatively rigid octahedral system were studied and it was shown that hydrogen bonding can affect not only the bond lengths of the coordination molecule, but also to allow for a much better crystal packing as it enabled a closer hydrogen bonding contact between adjacent molecules.
Abstract: In order to study the effects of intramolecular hydrogen bonding on coordination geometry of a relatively rigid octahedral system, eight coordination compounds derived from bis(benzoylacetonato)manganese(II) and seven pyridine derivatives (three of them o-aminopyridines) were prepared. Four compounds in which intramolecular hydrogen bonds could not be formed are centrosymmetric with similar lengths of equivalent Mn–L bonds. When o-aminopyridines were employed, an intramolecular hydrogen bond was always formed. In the case of two compounds this led only to minor changes of molecular geometry, while in the other two the coordination complex was changed from a centrosymmetric all-trans configuration to a molecule with cis-configuration of pyridine ligands and of pseudo C2 symmetry. This change was found to affect not only the bond lengths of the coordination molecule, but also to allow for a much better crystal packing as it enabled a closer hydrogen bonding contact between adjacent molecules.
10 citations
TL;DR: In this paper, the low temperature crystal structures of ester and ether derivatives of varying electron demand, derived from cyclopropylmethanol 8 and dicyclopropylon 9, have been determined.
Abstract: The low temperature crystal structures of ester and ether derivatives of varying electron demand, derived from cyclopropylmethanol 8 and dicyclopropylmethanol 9, have been determined. These structures show a very strong response of the C–OR bond distance to the electron demand of the OR substituent, demonstrating the strong σ-donor ability of the strained C–C bonds in the cyclopropane ring.
10 citations
NEC1
TL;DR: The calculated bond length between the dopant and the As atoms and frequency of the local vibrational mode in the borken-bond geometry agree with extended-x-ray absorption-fine-structure and Fourier-transform-infrared-absorption measurements, respectively, supporting the broken-bonding model for the DX center.
Abstract: The validity of the broken-bond model for the DX center is examined by performing supercell calculations within the local-density approximation for column-IV donors in GaAs. We confirm that the broken-bond geometry is the most stable among the atomic structures accompanied with large lattice relaxation. The calculated bond length between the dopant and the As atoms and frequency of the local vibrational mode (LVM) in the borken-bond geometry agree with extended-x-ray absorption-fine-structure and Fourier-transform-infrared-absorption measurements, respectively, supporting the broken-bond model for the DX center
10 citations
TL;DR: The energy of formation of an open-chain N-methyltrifluoromethanesulfonamide dimer stabilized by the N-H⋯O=S hydrogen bond is 20.1 kJ mol−1 (CH2Cl2) as discussed by the authors.
Abstract: The energy of formation of an open-chain N-methyltrifluoromethanesulfonamide dimer stabilized by the N-H⋯O=S hydrogen bond is 20.1 kJ mol−1 (CH2Cl2). This value exceeds by ∼12 kJ mol−1 the energy of formation of cyclic secondary methanesulfonamide self-associates per hydrogen bond.
10 citations