The characteristics of monolayer of HHQ was investigated on subphases with different acidities and with different metal ions. The difference of the characteristics of HHQ monolayer is dependent on the difference of radii,nuclear charges and the structures of valence shell of metal ions. The 20-laver LB films of HHQ on each side of the substrate were prepared by spreading a solution of HHQ in chloroform,and UV-Vis absorption spectra of the LB films were recorded.
On the basis of the Valence Shell electron Pair repulsion theory, we have justified bond angles in AB_(4-n) molecules depend on the bond parameter Z~(*2)/r_k of thebonding atoms A and B. Formulas for calculation of the bond angles of AX_3 and AH_(4-n) molecules of the VA、VIA group elements are proposed and extended.
Through the ionization energy of the valence shell and the energy of the valence bond orbital, the new scale of the electronegativity of 90 elements in the Periodic Table has been established by the effective nuclear~ charge number method.
In this dissertation, using angle-resolved fast-electron-energy-loss spectrometer, some superexcited states of NO and N_2, as well as generalized oscillator strengths for the valence shell excitations of O_2 and N_2O, were studied.
Regarding 0 VEI, 1VEI,total ionization energy of valence shell electrons n iE i and total valence shell electrons n i as fundamental parameters,the electronegativity of element can be defined as follows: X N =0.444067+1.190653(1-1.32775/n i) ( 0VEI)-3.154675( 1VEI)+0.134591(n iE i/ n i).
The total capability of an atomic attracting valence electrons can be measured by the sum of ionization energies of valence electron in ground stage free atom and its electron affinity called Total Attracting Energy, TAE=Σ n iE i +EA, where, E i is the ionization energy of the i th valence shell electron in ground state free atom, n i is the number of valence shell electron bearing energy E i , and EA is the electron affinity.
The first measurement of the complete valence shell binding energy spectra and the electron momentum profiles of the highest occupied molecular orbitals(HOMOs) of chlorobromomethane(CH_2BrCl) at an incident energy of 1200eV plus binding energy are reported.
The electronegativity χ CL is proportional to the average of TAE, AAE, divided by Σ n i , the number of atomic valence shell electrons. χ CL =0.1813AAE=0.1813TAE/Σ n i =0.1813(Σ n iE i +EA)/Σ n i . Further, the atomic valence orbital electronegativity can be also obtained from TAE of an atom.
Electroaffinity or electronegativity X LL is approximately proportional to the average ionization energy B , the total ionization energy U divided by the number of atomic valence shell electrons N , due to its vecy small electron affinity E .
The electron momentum profile for inner valence orbitals 2b and 3a of cyclohexene (C_6H_(10)) was firstly studied by the binary (e,2e) electron momentum spectroscopy (EMS), at the impact energy of 1200 eV plus binding energy using symmetric non-coplanar kinematics. The complete valence shell binding energy spectrum of C_6H_(10) was also obtained.
A novel connectivity index of valence shell electron energy levels for a ground state atom m VEI (m=0,1,2,...) is put forward in this paper,which appears uniquely to the ground state atom and has excellent structural selectivity.
Ab initio calculations in a split-valence shell 6-31G(d) basis for the 2-chloro-1,4-dioxane (with axial and equatorial Cl atom) and 2,3-cis-dichloro-1,4-dioxane molecules with full optimization of their geometry were performed.
The crystal and molecular structures of the title compound have been determined from three-dimensional X-ray diffraction data. The cryatal is mono-clinic with a = 11.073 (2) , b = 13.766 (1) , c = 11.229 (11) A, β= 99.36 (5)°, Z = 4, space group P21/n. The observed and calculated densities are 1.60 and 1.631g/cm3 respectively. The structure was solved by heavy atom method and refined by full-matrix least squares to a conventional R facter of 0.085 for 2293 independent intensities greater than 3σ.Two benzoic...
The crystal structure of (C5H7S2)2 ((SbCl3)2S) has been determined by the heavy atom method and refined by full matrix least squares technique on CAD-4 diffractometer to R=0.067. The space group is C2/c with a=14.531(2), b=11.265(2), c=15.364(3)A. β=112.72(1) and 2=4. The result shows that the crystal is ionic,consisting of a planar five-membered ring (C5H7S2)+ cation and a((SbCl3)2S)2- anion. In the anion, each Sb atom makes use of foursp3d hybrid orbitals to combine with three Cl atoms and a bridging S at...
A simultaneous optimization of geometry and orbital exponents in ab initiocalculations is studied.The simplex method is employed in the optimization,and the STO-3G basis set is chosen.Full geometry optimizations with and wi-thout optimizing the STO exponents are carried out on hydrogen,methane,am-monia,water,hydrogen fluoride as well as their deprotonated species,The res-ults without exponent optimization are in excellent agreement with the dataavailable in literature.The resulting deprotonation energies ar...
valence shell
价电子层
查询“valence shell”译词为用户自定义的双语例句
相关查询:
2008 CNKI－中国知网