• 文献检索
  • 文档翻译
  • 深度研究
  • 学术资讯
  • Suppr Zotero 插件Zotero 插件
  • 邀请有礼
  • 套餐&价格
  • 历史记录
应用&插件
Suppr Zotero 插件Zotero 插件浏览器插件Mac 客户端Windows 客户端微信小程序
定价
高级版会员购买积分包购买API积分包
服务
文献检索文档翻译深度研究API 文档MCP 服务
关于我们
关于 Suppr公司介绍联系我们用户协议隐私条款
关注我们

Suppr 超能文献

核心技术专利：CN118964589B侵权必究
粤ICP备2023148730 号-1Suppr @ 2026

文献检索

告别复杂PubMed语法，用中文像聊天一样搜索，搜遍4000万医学文献。AI智能推荐，让科研检索更轻松。

立即免费搜索

文件翻译

保留排版，准确专业，支持PDF/Word/PPT等文件格式，支持 12+语言互译。

免费翻译文档

深度研究

AI帮你快速写综述，25分钟生成高质量综述，智能提取关键信息，辅助科研写作。

立即免费体验

气相中的硅三醇：单个分子与氢键二聚体。

Silanetriols in the gas phase: single molecules vs. hydrogen-bonded dimers.

机构信息

University of Bielefeld, Inorganic and Structural Chemistry, Germany.

出版信息

Dalton Trans. 2012 Apr 7;41(13):3630-2. doi: 10.1039/c1dt11740h. Epub 2011 Nov 17.

DOI:10.1039/c1dt11740h
PMID:22089403
Abstract

The first gas phase structure of a silanetriol, tert-butylsilane-triol [(t)BuSi(OH)(3)], determined by gas electron diffraction (GED), is reported. Quantum chemical calculations have been performed to elucidate potential intermolecular interactions between silanetriol molecules in the gas phase. The results are set into contrast to solid state structures of (t)BuSi(OH)(3) and related compounds.

摘要

首次通过气相电子衍射（GED）确定了硅三醇的气相结构，叔丁基硅烷三醇[(t)BuSi(OH)(3)]。通过量子化学计算阐明了气相中硅三醇分子之间可能存在的分子间相互作用。研究结果与(t)BuSi(OH)(3)和相关化合物的固态结构进行了对比。

相似文献

1
Silanetriols in the gas phase: single molecules vs. hydrogen-bonded dimers.气相中的硅三醇：单个分子与氢键二聚体。
Dalton Trans. 2012 Apr 7;41(13):3630-2. doi: 10.1039/c1dt11740h. Epub 2011 Nov 17.
2
Structures and aggregation of the methylamine-borane molecules, Me(n)H(3-n)N.BH(3) (n = 1-3), studied by X-ray diffraction, gas-phase electron diffraction, and quantum chemical calculations.
J Am Chem Soc. 2009 Feb 18;131(6):2231-43. doi: 10.1021/ja807545p.
3
Molecular structures of free quinuclidine and its adducts with metal trihydrides, MH3 (M=B, Al or Ga), studied by gas-phase electron diffraction, X-ray diffraction and quantum chemical calculations.通过气相电子衍射、X射线衍射和量子化学计算研究了游离奎宁环及其与金属三水合物MH₃（M = B、Al或Ga）加合物的分子结构。
Dalton Trans. 2007 May 7(17):1687-96. doi: 10.1039/b701476g. Epub 2007 Mar 21.
4
Investigation of structure of liquid 2,2,2 trifluoroethanol: neutron diffraction, molecular dynamics, and ab initio quantum chemical study.液态2,2,2-三氟乙醇的结构研究：中子衍射、分子动力学及从头算量子化学研究
J Chem Phys. 2004 Dec 22;121(24):12472-80. doi: 10.1063/1.1814637.
5
1,8-Bis(phenylethynyl)anthracene - gas and solid phase structures.1,8-双（苯乙炔基）蒽——气相和固相结构
Org Biomol Chem. 2015 Sep 7;13(33):8893-905. doi: 10.1039/c5ob01078k.
6
Molecular structure of phthalocyaninatotin(II) studied by gas-phase electron diffraction and high-level quantum chemical calculations.通过气相电子衍射和高水平量子化学计算研究酞菁锡（II）的分子结构。
J Phys Chem A. 2008 Oct 9;112(40):10046-52. doi: 10.1021/jp804809e.
7
Structure enhancement methodology using theory and experiment: gas-phase molecular structures using a dynamic interaction between electron diffraction, molecular mechanics, and ab initio data.运用理论与实验的结构增强方法：利用电子衍射、分子力学和从头算数据之间的动态相互作用确定气相分子结构。
J Phys Chem A. 2007 Jul 5;111(26):5913-20. doi: 10.1021/jp072614x. Epub 2007 Jun 14.
8
Molecular structure and benzene ring deformation of three cyanobenzenes from gas-phase electron diffraction and quantum chemical calculations.基于气相电子衍射和量子化学计算的三种氰基苯的分子结构与苯环变形
J Phys Chem A. 2008 Oct 30;112(43):10998-1008. doi: 10.1021/jp803425h. Epub 2008 Oct 4.
9
Molecular structure of chloro-dodecafluorosubphthalocyanato boron(III) by gas-phase electron diffraction and quantum chemical calculations.
J Phys Chem A. 2007 May 24;111(20):4542-50. doi: 10.1021/jp0710988. Epub 2007 Apr 21.
10
Hydrogen bonding in the gas-phase: the molecular structures of 2-hydroxybenzamide (C7H7NO2) and 2-methoxybenzamide (C8H9NO2), obtained by gas-phase electron diffraction and theoretical calculations.气相中的氢键：通过气相电子衍射和理论计算获得的 2-羟基苯甲酰胺（C7H7NO2）和 2-甲氧基苯甲酰胺（C8H9NO2）的分子结构。
J Phys Chem A. 2013 Apr 11;117(14):3034-40. doi: 10.1021/jp311003d. Epub 2013 Apr 2.

引用本文的文献

1
Synthesis and Hydrogen-Bond Patterns of Aryl-Group Substituted Silanediols and -triols from Alkoxy- and Chlorosilanes.由烷氧基硅烷和氯硅烷合成芳基取代硅二醇和硅三醇及其氢键模式
Chemistry. 2021 Nov 25;27(66):16461-16476. doi: 10.1002/chem.202102729. Epub 2021 Oct 21.
2
Silanetriols as Powerful Starting Materials for Selective Condensation to Bulky POSS Cages.硅三醇作为选择性缩合形成大体积POSS笼状结构的有力起始原料。
Organometallics. 2014 Dec 22;33(24):7299-7306. doi: 10.1021/om5010918. Epub 2014 Dec 3.