synthesis, ir spectra, crystal structure and dft studies on 1-acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline合成、红外光谱、晶体结构和dft研究1-acetyl-3 -(4-chlorophenyl)5 -(4-methylphenyl)2-pyrazoline.pdfVIP

下载本文档

3
0
约3.28万字
约 10页
2017-09-12 发布于上海
举报
版权申诉

synthesis, ir spectra, crystal structure and dft studies on 1-acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline合成、红外光谱、晶体结构和dft研究1-acetyl-3 -(4-chlorophenyl)5 -(4-methylphenyl)2-pyrazoline.pdf

1、本文档共10页，可阅读全部内容。
2、原创力文档（book118）网站文档一经付费（服务费），不意味着购买了该文档的版权，仅供个人/单位学习、研究之用，不得用于商业用途，未经授权，严禁复制、发行、汇编、翻译或者网络传播等，侵权必究。
3、本站所有内容均由合作方或网友上传，本站不对文档的完整性、权威性及其观点立场正确性做任何保证或承诺！文档内容仅供研究参考，付费前请自行鉴别。如您付费，意味着您自己接受本站规则且自行承担风险，本站不退款、不进行额外附加服务；查看《如何避免下载的几个坑》。如果您已付费下载过本站文档，您可以点击这里二次下载。
4、如文档侵犯商业秘密、侵犯著作权、侵犯人身权等，请点击“版权申诉”（推荐），也可以打举报电话：400-050-0827(电话支持时间：9:00-18:30)。
5、该文档为VIP文档，如果想要下载，成为VIP会员后，下载免费。
6、成为VIP后，下载本文档将扣除1次下载权益。下载后，不支持退款、换文档。如有疑问请联系我们。
7、成为VIP后，您将拥有八大权益，权益包括：VIP文档下载权益、阅读免打扰、文档格式转换、高级专利检索、专属身份标志、高级客服、多端互通、版权登记。
8、VIP文档为合作方或网友上传，每下载1次，网站将根据用户上传文档的质量评分、类型等，对文档贡献者给予高额补贴、流量扶持。如果你也想贡献VIP文档。上传文档

synthesis, ir spectra, crystal structure and dft studies on 1-acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline合成、红外光谱、晶体结构和dft研究1-acetyl-3 -(4-chlorophenyl)5 -(4-methylphenyl)2-pyrazoline

Molecules 2008, 13, 2039-2048; DOI: 10.3390/molecule OPEN ACCESS molecules ISSN 1420-3049 /molecules Article Synthesis, IR Spectra, Crystal Structure and DFT Studies on 1-Acetyl-3-(4-Chlorophenyl)-5-(4-Methylphenyl)-2-Pyrazoline Huan-Mei Guo 1, Lin-Tong Wang 2, Jing-Zhang 3, Pu-Su Zhao 3 and Fang-Fang Jian 1, 3, * 1 Microscale Science institute, Weifang College, Weifang Shandong 261061, P. R. China; E-mail: huanmeiguo@163.com (Huan-Mei Guo) 2 Department of Chemistry, Weifang College, Weifang Shandong 261061, P. R. China; E-mail: tonglinwang@163.com (Lin-Tong Wang) 3 New Materials Function Coordination Chemistry Laboratory, Qingdao University of Science and Technology, Qingdao Shandong 266042, P. R. China; E-mails: jing59.zhang@ (Jing- Zhang), zhaopusu@ or zhaopusu@ (Pu-Su Zhao) * Author to whom correspondence should be addressed. E-mail: zhaopusu@163.com; Tel.: +86-0532 Fax: +86-0532 Received: 31 July 2008; in revised form: 19 August 2008 / Accepted: 25 August 2008 / Published: 1 September 2008 Abstract: 1-Acetyl-3-(4-chlorophenyl)-5-(4-methylphenyl)-2-pyrazoline has been synthesized and characterized by elemental analysis, IR and X-ray single crystal diffraction. Density functional (DFT) calculations have been carried out for the title compound by using the B3LYP method at the 6-311G** basis set level. The calculated results show that the predicted geometry can reproduce well the structural parameters.