• 主题
高级搜索  >
历史搜索 清空历史
首页> 外文期刊>Chemistry: A European journal >Chirality effects on the IRMPD spectra of basket resorcinareneucleoside complexes
【24h】

Chirality effects on the IRMPD spectra of basket resorcinareneucleoside complexes

机译：手性对篮式间苯二甲烯/核苷配合物IRMPD谱的影响

获取原文
获取原文并翻译 | 示例
           
页面导航
  • 摘要
  • 著录项
  • 相似文献
  • 相关主题

摘要

The IRMPD spectra of the ESI-formed proton-bound complexes of the R,R,R,R- and S,S,S,S-enantiomers of a bis(diamido)-bridged basket resorcin[4]arene (R and S) with cytosine (1), cytidine (2), and cytarabine (3) were measured in the region 2800-3600 cm ~(-1). Comparison of the IRMPD spectra with the corresponding ONIOM (B3LYP/6-31(d):UFF)-calculated absorption frequencies allowed the assessment of the vibrational modes that are responsible for the observed spectroscopic features. All of the complexes investigated, apart from [R·H·3] ~+, showed similar IRMPD spectra, which points to similar structural and conformational landscapes. Their IRMPD spectra agree with the formation of several isomeric structures in the ESI source, wherein the N(3)-protonated guest establishes noncovalent interactions with the host amidocarbonyl groups that are either oriented inside the host cavity or outside it between one of the bridged side-chains and the upper aromatic nucleus. The IRMPD spectrum of the [R·H·3] ~+ complex was clearly different from the others. This difference is attributed to the effect of intramolecular hydrogen-bonding interactions between the C(2')-OH group and the aglycone oxygen atom of the nucleosidic guest upon repulsive interactions between the same oxygen atom and the aromatic rings of the host. Basket case: Infrared multiple photon dissociation spectra of proton-bound complexes of a chiral resorcin[4]arene basket with cytosine, cytidine, and cytarabine were consistent with isomeric structures in which the protonated nucleoside was either inside or outside the host cavity (see figure).
机译：ESI形成的质子结合的双（二叠氮基）桥篮间苯二酚[4]芳烃（R和S）的R，R，R，R和S，S，S，S对映体的质子结合复合物的IRMPD光谱用胞嘧啶（1），胞苷（2）和阿糖胞苷（3）在2800-3600 cm〜（-1）区域测量。通过将IRMPD光谱与相应的ONIOM（B3LYP / 6-31（d）：UFF）计算的吸收频率进行比较，可以评估造成观察到的光谱特征的振动模式。除[R·H·3]〜+外，所有研究的配合物均显示出相似的IRMPD光谱，这表明相似的结构和构象景观。他们的IRMPD光谱与ESI源中几个同分异构结构的形成相符，其中N（3）质子化的客体与宿主酰胺羰基基团建立非共价相互作用，该酰胺基羰基基团位于宿主腔内部或在桥接腔之一之间的外部。 -链和上层芳香核。 [R·H·3]〜+络合物的IRMPD谱图明显不同于其他化合物。该差异归因于C（2'）-OH基团与核苷客体的糖苷配基氧原子之间的分子内氢键相互作用对相同氧原子与主体芳香环之间排斥作用的影响。篮子案例：手性间苯二酚[4]芳烃篮子与胞嘧啶，胞苷和阿糖胞苷的质子结合复合物的质子结合复合物的红外多光子解离光谱与异构体结构一致，质子化核苷位于宿主腔内或腔外（见图） ）。

著录项

相似文献

  • 外文文献
  • 中文文献
  • 专利
获取原文

客服邮箱：kefu@zhangqiaokeyan.com

京公网安备：11010802029741号 ICP备案号：京ICP备15016152号-6 六维联合信息科技 (北京) 有限公司©版权所有

  • 客服微信

  • 服务号