1) intramolecular blue-shifting hydrogen bonding
分子内蓝移氢键
2) blue-shifted H-bond
蓝移氢键
1.
The blue-shifted H-bonds between HNO(HNS) and (HF)1≤n≤3 are theoretically studied in this paper,using ab initio calculation.
运用量子化学从头算方法研究了HNO(HNS)与(HF)1≤n≤3形成的蓝移氢键。
3) Intramolecular Hydrogen Bonding
分子内氢键
1.
The distribution fraction of OS with intermolecular hydrogen bonding is higher than that of OS with intramolecular hydrogen bonding in aqueous solutions.
结果表明,在OS与-βCD形成的包结物中,-βCD的分子空腔有利于OS分子间氢键的形成,从而导致基于分子间氢键的短波长荧光增强而基于分子内氢键的长波长荧光减弱;与-βCD相比,DM--βCD因端口边沿处甲基取代基对包结作用会产生立体位阻,更有利于OS形成分子间氢键。
4) Intramolecular hydrogen bond
分子内氢键
1.
It was found that (i) Hydroxyls of HYP at position 1,2 could form intramolecular hydrogen bond(IHB) through crossing a barrier of about 20kJ/mol and rotating around C-0 bond, and the hydrogen bond energy was estimated to be approximately 10kJ/mol.
HYP1,2位OH可越过20kJ/mol左右的势垒,绕C—O键旋转而形成分子内氢键,并估算出键能约为10kJ/mol;2。
2.
The relationships between nitrobenzenes s impact sensitivities and intramolecular hydrogen bonds were investigated.
讨论了分子内氢键与其撞击感度的关系,结果表明氢键的形成可能对分子的撞击感度起钝化作用。
3.
The single-crystal structure shows that 1 displays a 1,2′-conformation and two intramolecular hydrogen bondings between CO (Trp) and NH (another Trp) of each peptide chain induce the chirality-organized structure.
单晶结构表明,该化合物通过2个分子内氢键,形成了规则的手性构象。
5) intramolecular H-bond energy
分子内氢键键能
1.
The results show that the intramolecular H-bond energy is-6.
提出一种计算多肽中N-H…O=C分子内氢键键能的新方法。
6) Blue-Shifting Hydrogen Bond
蓝移型氢键
1.
Quantum Chemistry Investigation on Nitrogen Clusters and Blue-Shifting Hydrogen Bond Systems;
氮原子簇合物及蓝移型氢键的量子化学研究
补充资料：蓝移
分子式：
CAS号：
性质：亦称紫移。因使用不同溶剂或引入取代基所引起的化合物吸收光谱的吸收峰向短波长方向的移动。这是由于激发态氧原子形成氢键的程度比基态时低所致。
CAS号：
性质：亦称紫移。因使用不同溶剂或引入取代基所引起的化合物吸收光谱的吸收峰向短波长方向的移动。这是由于激发态氧原子形成氢键的程度比基态时低所致。
说明：补充资料仅用于学习参考，请勿用于其它任何用途。
参考词条