Chemical bond analysis of nonlinearity of urea crystal
文献类型：期刊论文
| 作者 | Xue DF ; Zhang SY |
| 刊名 | journal of physical chemistry a
 |
| 出版日期 | 1997 |
| 卷号 | 101期号:30页码:5547-5550 |
| 关键词 | CONJUGATED ORGANIC-MOLECULES SEMIEMPIRICAL CALCULATIONS FREQUENCY-DEPENDENCE ELECTRON CORRELATION OPTICAL-PROPERTIES HYPERPOLARIZABILITIES POLARIZABILITY POLYENES GENERATION BENZENE |
| ISSN号 | 1089-5639 |
| 中文摘要 | a novel and quantitative study on structure-property relationships has been carried out in urea crystal, based on the dielectric theory of complex crystals and the modified levine bond charge model, mainly from the chemical bond viewpoint. for the first time, it was treated like this, and the bond parameters and linear and nonlinear characteristics of constituent chemical bonds were presented quantitatively. the theoretical result agrees satisfactorily with the experimental datum and can reasonably explain the nonlinear origin of urea crystal, that is, the c-n bond in the conjugated system of bonds o double left arrow c<--n-h. at the same time, the novel method should be a useful tool toward the future development of the search for new nonlinear optical (nlo) materials in the organic crystal field. |
| 收录类别 | SCI收录期刊论文 |
| 语种 | 英语 |
| 公开日期 | 2010-12-22 ; 2011-06-09 |
| 源URL | [http://ir.ciac.jl.cn/handle/322003/24121]  |
| 专题 | 长春应用化学研究所_长春应用化学研究所知识产出_期刊论文 |
| 推荐引用方式 GB/T 7714 | Xue DF,Zhang SY. Chemical bond analysis of nonlinearity of urea crystal[J]. journal of physical chemistry a,1997,101(30):5547-5550. |
| APA | Xue DF,&Zhang SY.(1997).Chemical bond analysis of nonlinearity of urea crystal.journal of physical chemistry a,101(30),5547-5550. |
| MLA | Xue DF,et al."Chemical bond analysis of nonlinearity of urea crystal".journal of physical chemistry a 101.30(1997):5547-5550. |
入库方式： OAI收割
来源：长春应用化学研究所
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