期刊：
PHOSPHORUS SULFUR AND SILICON AND THE RELATED ELEMENTS,2000年157(1):67-85 ISSN：1042-6507
通讯作者：
Zhan, CG
作者机构：
[Zhan, CG; Wan, J] Cent China Normal Univ, Dept Chem, Wuhan 430079, Peoples R China.;[Zhan, CG] Battelle NW, Pacific NW Natl Lab, Mailstop K2-21, Richland, WA 99352 USA.
通讯机构：
[Zhan, CG] B;Battelle NW, Pacific NW Natl Lab, Mailstop K2-21, Richland, WA 99352 USA.
关键词：
P=O bond stretching frequency;P=S bond stretching frequency;maximum bond order hybrid orbital;correlation analysis;organophosphorus compound
摘要：
Abstract A generalized relationship has been employed to correlate P[dbnd]O and P[dbnd]S bond stretching frequencies with molecular electronic structures for organophosphorus compounds. The calculated results are in good agreement with the available experimental data. The standard deviations are only 3.7 and 5.4 cm−1 for the P[dbnd]O and P[dbnd]S bonds, respectively.
摘要：
In search of novel herbicides with high activity, a series of 2-arylthio-1, 2, 4-triazolo[1,5-a] pyrimidines (3) were synthesized by cyclization of 5-amino-3-arylthio-1,2,4-triazoles with 1,3-diketones or by the nucleophilic substitution of substituted thiophenols with 2-methylsulfonyl-1, 2, 4-triazolo [1, 5-a]-pyrimidine. The structures of all compounds prepared were confirmed by H-1 NMR and MS spectroscopy along with elemental analyses. Preliminary bioassays indicated that some of the compounds 3 had good herbicidal activity against rape. In addition, the regioselectivity in the reaction of 5-amino-3-substituted arylthio-1,2, 4-triazoles with benzoylacetone was studied.
摘要：
Abstract 2,4-Bis(4-methoxyphenyl)-1,3,2,4-dithiadiphosphetane-2,4-disulfide (Lawesson's Reagent, LR), was treated with N,N′-diaryl glycinamides (1) in anhydrous toluene as a solvent at 100°C to form 1,3-diaryl-1,3,2-ciazaphospholidin-4-thione-2-sulfides (2) Compatible analytical and spectroscopic data were obtained for all the new compounds. A mechanism was proposed to explain the formation of compound 2f. The biological activity of the title products was also tested and some of them showed good herbicidal activity.
期刊：
Computational and Theoretical Chemistry,2000年531(1-3):33-37 ISSN：2210-271X
通讯作者：
Zhan, CG
作者机构：
[Xiong, Y; Wang, QL; Zhan, CG; Chen, X] Cent China Normal Univ, Dept Chem, Wuhan 430070, Peoples R China.;[Zhan, CG] Battelle NW, Pacific NW Natl Lab, Mailstop K2-21, Richland, WA 99352 USA.
通讯机构：
[Zhan, CG] B;Battelle NW, Pacific NW Natl Lab, Mailstop K2-21, Richland, WA 99352 USA.
关键词：
s-characters;C=O bond stretching;bond order;hybrid orbital
摘要：
A generalized relationship, which includes contributions of the s-characters of C=O bond and the net atomic charges, is employed to elucidate C=O bond stretching vibrational frequencies based on the maximum bond order hybrid orbital calculations at ab initio HF/6-31G* level of theory. It is demonstrated that the change of the s-characters is the most important factor for determining the change of C=O stretching frequencies. The C=O stretching frequencies calculated by using the explicit relationship obtained are in good agreement with the corresponding experimental frequencies. (C) 2000 Elsevier Science B.V. All rights reserved.
期刊：
Organic Preparations and Procedures International,2000年32(3):302-306 ISSN：0030-4948
通讯作者：
Lu, SM
作者机构：
[Lu, SM] Cent China Normal Univ, Dept Chem, Wuhan 430079, Hubei, Peoples R China.;Nankai Univ, Inst Elementoorgan Chem, Tianjin 300071, Peoples R China.
通讯机构：
[Lu, SM] C;Cent China Normal Univ, Dept Chem, Wuhan 430079, Hubei, Peoples R China.
摘要：
(2000). FACILE AND EFFICIENT SYNTHESIS OF α-AMINOPHOSPHONATE DERIVATIVES OF 1,3,4-OXADIAZOLE AND 1,3,4-THIADIAZOLE. Organic Preparations and Procedures International: Vol. 32, No. 3, pp. 302-306.
