Y (X =LiF,NH3,H2 O;Y =HF,LiF) complexes were optimized at CCSD (T)/ccpVTZ level.The results of natural atomic charges,Wiberg bond index and localized molecular orbitals suggest that H-F bond in HFLiF is covalent,but Li-F bond is more like ionic instead of covalent.The bind energy...
Results from electronic density of states (DOS) and electron localization function (ELF) indicate the covalent bond nature of the N–H bond and the B–H bond. Charge density analyses show weak ionic interactions between the Ca atom and the NH3 complexes or the (BH4)− complexes. The ...
(sd. WecrheialesesoofmHe-oOf bonds) are released H atoms exist as single atoms on the surfaces or in the interior of the Fe slab (H-Fe), the rest form covalent bonds wwb1.eii3ctt4hha3minN, e2pa.ai0tcmo4om4ms,esoacnn(oHndiud-3mNs.6w)i7o.i4nSth up(cshN,hiHaghsh4y+spdh)...
and Li-N bonds in Li3N have a strong ionic character (Greenwood and Earnshaw, 1997). Li therefore releases N much easier than other s-metals,. The bonds of other s-metals have a more covalent character, although they are all considered “salt-like” nitrides. For example, earth-alkali el...
This feature enables the stronger covalent bonding character between Bi-I pair than that between Pb-I pair. Nevertheless, it should be mentioned that the Bi-I and Pb-I pair in these two materials are ionic bond dominant. A stronger covalent character between Bi-I pair only show more ...
Covalent "H-X" bonds are the basis of the Bronsted-Lowry theory of acids and bases. One or more of these bonds are dissociated to an appreciable degree from each particle of an acidic substance. This releases an ionized hydrogen atom (proton). A basi...
SiO or SiO_2 Which of these compounds is most likely to be ionic? Which compounds, NaH, PH3, CH4, IBr3 are ionic compounds? Which of the following compounds are ionic and which are covalent: N2, CCl4, SiO2, AlCl3, CaCl2, LiBr Which compounds are ionic and which are covalent: N2, ...
类钙钛矿（c4h9nh3）2mx4材料的制备与结构 类钙钛矿（c4h9nh3）2mx4材料的制备与结构 武汉理工大学 硕士学位论文 类钙钛矿（C ,4 H ,9 NH ,3 ） ,2 MX ,4 材料的制备与结构 姓名：*** 申请学位级别：硕士 专业：材料学 指导教师：刘韩星;郭丽玲 20040501 摘要 ...
MesoscopicCH3NH3PbI3/TiO2HeterojunctionSolarCellsLiozEtgar,*,†,§PengGao,†ZhaoshengXue,‡QinPeng,†AravindKumarChandiran,†BinLiu,‡Md.K.Nazee..
Many of these halogen compounds lie close to the ionic/covalent borderline, and several identified species have been found to be dependent on variables like the substituents R, the donor atom, the identity of the halogen, and, in some cases, also on the dielectric constant of the solvent in...