Hydrogen bonds of four types (N-H...O=C, N-H...OH, O-H...O=C and O-H...OH) connect molecules of the title compound, C(14)H(20)N(2)O(4), in the crystal into sheets folded into a zigzag pattern. The intermolecular interactions are discussed in terms of the first- through...
Accurate description of hydrogen-bonding energies between water molecules and van der Waals interactions between guest molecules and host water cages is crucial for study of methane hydrates (MHs). Using high-level ab initio MP2 and CCSD(T) results as the reference, we carefully assessed the ...
The "size" (spatial extension of negative value) and "depth" (minium value) of the σ-hole varies for different X in CF3-X, and is influenced by the carbon substituents (fluorine atoms, hydrogen atoms, methyl groups). The size and depth of σ-hole decreases in the order: I, Br, ...
1. The octet rule is found to be equivalent to the condition that the number of unshared electrons in a valence-bond structure be as small as possible, or, when this number is zero, to the conditi... HA Bent - 《Chemical Reviews》 被引量: 550发表: 1961年 Hydrogen-hydrogen bonding: ...
Journal of molecular modeling . 2013,第11期 机译:卤素键的理论描述-基于化学价的自然轨道与扩展过渡态方法(ETS-NOCV)的结合 3. Theoretical description of hydrogen bonding in oxalic acid dimer and trimer based on the combined extended-transition-state energy decomposition analysis and natural orbitals...
Simple molecular structures are held together by weak intermolecular forces of attraction such √ D as instantaneous dipole-induced dipole (id-id) interactions, permanent dipole-permanent dipole interactions and hydrogen bonding. 反馈 收藏
Spectroscopic Investigations of Hydrogen Bonding Interactions in the Gas Phase. VII. The Equilibrium Conformation and Out-of-Plane Bending Potential Energy... We have assigned the rotational spectrum of H$_2$O $\\\cdots$ HF in vibrationally excited states associated with the hydrogen bond out-of...
Anomalies in the charge transfer spectral bands of these ions are discussed in terms of a simple molecular orbital description and parameters of the back-bonding interaction, including the 蟺-stabilization energy, are estimated. The ground... RH Magnuson,H Taube - 《Journal of the American Chemica...
What types of intermolecular forces are expected between CH_3NH_2 molecules? What intermolecular forces are present in H2O? (Select all that apply.) a. dispersion forces b. dipole-dipole forces c. hydrogen bonding What type(s) of intermolecular forces are expecte...
The toxicity of 2-bromoethanol 2-Bromoethanol is a colorless or light yellow hygroscopic liquid with relatively stable and toxic chemical properties... Apr 11,2022API Phenylacetylene: A Hydrogen Bonding Chameleon Phenylacetylene is a natural product found in Tuber borchii and Tuber canaliculatum with...