作者机构：
Department of Chemistry, Central China Normal University, Wuhan, People's Republic of China
通讯机构：
[ZHAN, CG] C;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN,PEOPLES R CHINA.
摘要：
A demonstration of Pauling's pair-defect-sum approximation from the maximum overlap method is presented. It is based on the generalized formula of the bond strength that we obtained for the hybridization of atomic orbitals for systems containing more than 2 ligands. This work indicates that the pair-defect-sum approximation is a reasonable result of the generalized formula, but the expansion terms with its higher power are omitted.
作者机构：
[LIU, ZJ; CHEN, WB] Institute of Organic Synthesis, Central China Normal University , Wuhan, People's Republic of China
通讯机构：
[LIU, ZJ] C;CENT CHINA NORMAL UNIV,INST ORGAN SYNTHESIS,WUHAN,PEOPLES R CHINA.
摘要：
Abstract Ten title compounds 2a-j were synthesized by utilising mercuric (I) catalyzed thiono-thiolo rearrangement of O-propargyl-O-alkyl-pho-sphoramidothionates (1a-j) in HAc-NaAc buffer (PH=3.6). The yield of compounds 2a-e and 2f-j is 58–67% and 12–41%. This is the example of [3,3]-sigmatropic type rearrangement of 1,5-enyne system in thionop hosphoramidate chemistry.
作者机构：
[ZHU, J; ZHANG, YJ; HUANG, WF] CENT CHINA NORMAL UNIV,INST ORGAN SYNTHESIS,WUHAN,PEOPLES R CHINA.;[ZHANG, YJ] CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN,PEOPLES R CHINA.
通讯机构：
[ZHANG, YJ] C;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN,PEOPLES R CHINA.
期刊：
Computational and Theoretical Chemistry,1990年205:267-277 ISSN：2210-271X
作者机构：
[ZHENG, F; ZHAN, CG] CENT CHINA NORMAL UNIV, DEPT CHEM, WUHAN, PEOPLES R CHINA.
摘要：
A new formula for calculating bond energy has been suggested in order to improve the iterative maximum overlap approximation method and to describe clearly the physical picture determining molecular geometry according to the principle of hybridization. By use of this formula, one can directly work out the equilibrium internuclear distances on the condition that the sum of bond energies in a molecule is maximum. The improved method has been examined by being applied to some alkanes and silanes, the agreement with experimental results indicates that the idea stated in this paper is reasonable.
作者机构：
[ZHAN, CG; WANG, QL; ZHENG, F] Department of Chemistry, Central China Normal University, Wuhan, People's Republic of China
通讯机构：
[ZHAN, CG] C;CENT CHINA NORMAL UNIV,DEPT CHEM,WUHAN 430070,PEOPLES R CHINA.
关键词：
Bond order;Maximum bond order;Maximum bond order principle;Maximum overlap method
摘要：
Based on the maximum overlap method, an alternative scheme for the calculation of the maximum bond order defined by Jug is introduced to simplify the calculation procedure.
期刊：
Journal of Molecular Structure: THEOCHEM,1990年205:151-157 ISSN：0166-1280
通讯作者：
HU, ZM
作者机构：
Department of Chemistry, Central China Normal University, WuhanPeople's Republic of China
通讯机构：
[HU, ZM] C;CENT CHINA NORMAL UNIV, DEPT CHEM, WUHAN, PEOPLES R CHINA.
摘要：
With the assumptions that the radial dependence of the atomic orbitais (AO) is ignored and that the projection method is employed, a general procedure is presented for the discussion of hybridization and bond strength based on the maximum overlap method (MOM). The procedure was used for the non-equivalent hybrid atomic orbitais (HAO) in ML4 systems. The formulae of the bond strength according to Pauling are derived and the connection between the equivalent and non-equivalent hybrids is discussed. In combination with the results of previous work, it is shown that there is total coincidence between the approximate MOM and classical hybrid theory.
期刊：
Computational and Theoretical Chemistry,1990年205:137-149 ISSN：2210-271X
通讯作者：
LIU, F
作者机构：
Department of Chemistry, Central China Normal University, WuhanPeople's Republic of China
通讯机构：
[LIU, F] C;CENT CHINA NORMAL UNIV, DEPT CHEM, WUHAN, PEOPLES R CHINA.
摘要：
Based on the maximum-overlap method (MOM), a more complete treatment for the bond strength of MLk molecules with many different bond angles between the multiple ligands has been studied. A demonstration of Pauling's practical work is given using the MOM, and the relation of classical hybridization to the MOM is investigated further.
作者机构：
[LIU, Z; LI, X; ZHANG, J] Institute of Organic Synthesis, Central China Normal University, Wuhan, People's Republic of China
通讯机构：
[LIU, Z] C;CENT CHINA NORMAL UNIV,INST ORGAN SYNTH,WUHAN,PEOPLES R CHINA.
摘要：
Abstract Twelve title compounds 3a-l were synthesized by nuclophilic addition of thiophosphoramide 1 to benzoylisocyanate 2. The yield of compounds 3a-f and 3g-l is 72–83% and 18–33%.
期刊：
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS,1988年40(3-4):215-218 ISSN：1042-6507
通讯作者：
LIU, ZJ
作者机构：
[LIU, ZJ; LI, XF; ZHANG, JL] Institute of Organic Synthesis, Central China Normal University , Wuhan, People's Republic of China
通讯机构：
[LIU, ZJ] C;CENT CHINA NORMAL UNIV,INST ORGAN SYNTH,WUHAN,PEOPLES R CHINA.
摘要：
Abstract Tris(N,N-dialkylamino)phosphines undergo a transamination reaction with N-(O-alkyl-O-allyl-thio-phosphoryl)-N′-benzoylureas. Eight new compounds were synthesized by this method and characterized by IR, 1H NMR and 31P NMR.
期刊：
JOURNAL OF MASS SPECTROMETRY,1988年23(6):487-491 ISSN：1076-5174
通讯作者：
GU, Y
作者机构：
Department of Chemistry, Huazhong Normal University, Wuhan, Hubei, P.R. China
通讯机构：
[GU, Y] H;HUAZHONG NORMAL UNIV,DEPT CHEM,HUBEI,PEOPLES R CHINA.
摘要：
A fuzzy classification and a computer pattern recognition program are presented for identifying double bond positional isomers of dodecadienic compounds by comprehensively analysing the mass spectra and calculating similarity coefficients of the compounds. Fifty‐four examples showed that this is an excellent classification method.
