C NMR spin-lattice relaxation times (T1), line widths, nuclear Overhauser effects (NOE) at room temperature have been measured for radiated ets 1,4-polybutadiene.With the increase of radiation dose T1 is almost invari...C NMR spin-lattice relaxation times (T1), line widths, nuclear Overhauser effects (NOE) at room temperature have been measured for radiated ets 1,4-polybutadiene.With the increase of radiation dose T1 is almost invariant, but line width of the methylene (-CH2-) carbon increases remarkably, and its NOE factor decreases sharply. This implies that the long-range segmental motion is hindered, and saturated tertiary carbon (-C H- ) is formed during crosslinking of ets 1,4-polybutadiene.展开更多
The reaction of 2-ethylimidazole and zinc formate monohydrate in 1:2 ratio in toluene leads to the formation of bis(2-ethylimidazole)bis(formato)zinc(II)-water (1/1), [Zn(N2H8C5)2(OCHO)2]·H2O, 1 which has been ch...The reaction of 2-ethylimidazole and zinc formate monohydrate in 1:2 ratio in toluene leads to the formation of bis(2-ethylimidazole)bis(formato)zinc(II)-water (1/1), [Zn(N2H8C5)2(OCHO)2]·H2O, 1 which has been characterized by several techniques, including elemental and thermal analyses, IR, 1HNMR and 13CNMR spectroscopies, single crystal X-ray diffraction and DFT studies. The results obtained show that this complex crystallizes in the orthorhombic crystal system of the Pbca space group, with cell parameters a = 14.7230(2) Å, b = 7.3880(10) Å, c = 29.0843(4) Å, α = 90°, β = 90°, γ = 90°, V = 3163.73 Å3 and Z = 8. The zinc center is bound to two molecules of 2-ethylimidazole, two formate molecules in a tetrahedral coordination geometry. One water of crystallization is present in the coordination sphere of the compound. Its molecular crystalline structure is strengthened by O/N-H…O, O-H…π, O-H…H, C-H…O, H…π, π…O and π…π interactions. The optimized structure, frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential, natural bond orbitals and the Mulliken atomic charges were investigated through theoretical studies.展开更多
文摘C NMR spin-lattice relaxation times (T1), line widths, nuclear Overhauser effects (NOE) at room temperature have been measured for radiated ets 1,4-polybutadiene.With the increase of radiation dose T1 is almost invariant, but line width of the methylene (-CH2-) carbon increases remarkably, and its NOE factor decreases sharply. This implies that the long-range segmental motion is hindered, and saturated tertiary carbon (-C H- ) is formed during crosslinking of ets 1,4-polybutadiene.
文摘The reaction of 2-ethylimidazole and zinc formate monohydrate in 1:2 ratio in toluene leads to the formation of bis(2-ethylimidazole)bis(formato)zinc(II)-water (1/1), [Zn(N2H8C5)2(OCHO)2]·H2O, 1 which has been characterized by several techniques, including elemental and thermal analyses, IR, 1HNMR and 13CNMR spectroscopies, single crystal X-ray diffraction and DFT studies. The results obtained show that this complex crystallizes in the orthorhombic crystal system of the Pbca space group, with cell parameters a = 14.7230(2) Å, b = 7.3880(10) Å, c = 29.0843(4) Å, α = 90°, β = 90°, γ = 90°, V = 3163.73 Å3 and Z = 8. The zinc center is bound to two molecules of 2-ethylimidazole, two formate molecules in a tetrahedral coordination geometry. One water of crystallization is present in the coordination sphere of the compound. Its molecular crystalline structure is strengthened by O/N-H…O, O-H…π, O-H…H, C-H…O, H…π, π…O and π…π interactions. The optimized structure, frontier molecular orbitals, global reactivity descriptors, molecular electrostatic potential, natural bond orbitals and the Mulliken atomic charges were investigated through theoretical studies.
