Home

Citation: NI Jie, LI An-Yong, YAN Xiu-Hua. Blue- and Red-Shifted Hydrogen Bonds between HNO and (HF)_1≤n≤3[J]. Acta Physico-Chimica Sinica, ;2008, 24(11): 2000-2006. doi: 10.3866/PKU.WHXB20081111 shu

Blue- and Red-Shifted Hydrogen Bonds between HNO and (HF)_1≤n≤3

1.
School of Chemistry and Chemical Engineering, Southwest University, Chongqing 400715, P. R. China

Received Date: 15 May 2008
Available Online: 22 September 2008

Quantum chemistry ab initio methods were applied to study the blue-and red-shifted H-bonds between HNO and (HF)1≤n≤shifts were caused by repolarization, rehybridization, and intramolecular hyperconjugation. All of the X…H—F (X=O, N, F) are red-shifted, and intermolecular hyperconjugation led to the red shifts. In these chains of H-bonds, the variations of intermolecular hyperconjugations, electron densities at the bond critical points (BCPs), and strengths and frequency shifts of the H-bonds were correlated with each other by definite rules.
- Blue-shifted hydrogen bond; Electron density topology analysis; Intermolecular and intramolecular hyperconjugation; Rehybridization
1. [1]
  Hong RAO , Yang HU , Yicong MA , Chunxin LÜ , Wei ZHONG , Lihua DU . Synthesis and in vitro anticancer activity of phenanthroline-functionalized nitrogen heterocyclic carbene homo- and heterobimetallic silver/gold complexes. Chinese Journal of Inorganic Chemistry, 2024, 40(12): 2429-2437. doi: 10.11862/CJIC.20240275
2. [2]
  Wenyan Dan , Weijie Li , Xiaogang Wang . The Technical Analysis of Visual Software ShelXle for Refinement of Small Molecular Crystal Structure. University Chemistry, 2024, 39(3): 63-69. doi: 10.3866/PKU.DXHX202302060
3. [3]
  Chao Zheng , Chengxi Sun , Runfeng Chen . Theoretical calculations of triplet state lifetimes and phosphorescence radiative rates in organic long-persistent luminescence molecules: Introducing a comprehensive computational chemistry experiment. University Chemistry, 2026, 41(6): 374-384. doi: 10.12461/PKU.DXHX202507082
4. [4]
  Ke Liu , Qi Gao , Haifeng Li , Lipeng Diao , Xuegang Chen , Daohao Li , Guanglei Wu . Hydrogen-bonding intermolecular interaction between graphene oxide and polytetrafluoroethylene enhanced creep resistance. Acta Physico-Chimica Sinica, 2026, 42(8): 100315-0. doi: 10.1016/j.actphy.2026.100315
5. [5]
  Wei HE , Jing XI , Tianpei HE , Na CHEN , Quan YUAN . Application of solar-driven inorganic semiconductor-microbe hybrids in carbon dioxide fixation and biomanufacturing. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 35-44. doi: 10.11862/CJIC.20240364
6. [6]
  Xinyu CHENG , Xinran CHEN , Fei LI , Chen CHEN , NevisNathaniel L. , Kai CHEN . 两例同构的七元瓜环基超分子自组装体的合成、Hirshfeld表面分析及其性质. Chinese Journal of Inorganic Chemistry, 2026, 42(8): 1637-1646. doi: 10.11862/CJIC.20260049
7. [7]
  Junyang FENG , Xiaoli HAN , Yongjie SONG , Gang LI . Proton conduction and fluorescence properties of an ionic hydrogen-bonded organic framework constructed from dibromophthalic acid. Chinese Journal of Inorganic Chemistry, 2026, 42(4): 693-702. doi: 10.11862/CJIC.20250350
8. [8]
  Xian-Wei Lv , Xinyuan Ding , Jiaxing Gong , Xuhuan Yan , Dayong Huang , Jianxin Geng , Zhong-Yong Yuan . Research progress on orbital hybridization in photocatalysis and electrocatalysis. Acta Physico-Chimica Sinica, 2026, 42(2): 100151-0. doi: 10.1016/j.actphy.2025.100151
9. [9]
  Ping Che , Mingwen Wang . Exploration of Hybrid Orbital Theory Teaching Based on the “FiveQuestion” Model. University Chemistry, 2026, 41(2): 119-122. doi: 10.12461/PKU.DXHX202503063
10. [10]
  Jin Tong , Shuyan Yu . Crystal Engineering for Supramolecular Chirality. University Chemistry, 2024, 39(3): 86-93. doi: 10.3866/PKU.DXHX202308113
11. [11]
  Dong Xiang , Kunzhen Li , Kanghua Miao , Ran Long , Yujie Xiong , Xiongwu Kang . Amine-Functionalized Copper Catalysts: Hydrogen Bonding Mediated Electrochemical CO₂ Reduction to C₂ Products and Superior Rechargeable Zn-CO₂ Battery Performance. Acta Physico-Chimica Sinica, 2024, 40(8): 2308027-0. doi: 10.3866/PKU.WHXB202308027
12. [12]
  Zhiran Duan , Haijing Qu , Xiangdong Xue . Construction and characterization of supramolecular assembly-based nanodrug delivery systems: a teaching practice in supramolecular chemistry experiment. University Chemistry, 2026, 41(7): 239-249. doi: 10.12461/PKU.DXHX202505021
13. [13]
  Wenying Shi , Xianggui Kong , Hong Yan . Supramolecular chemistry: a molecularly functional world built by the noncovalent code. University Chemistry, 2026, 41(7): 134-143. doi: 10.12461/PKU.DXHX202506051
14. [14]
  Mengyang LI , Hao XU , Zhonghao NIU , Chunhua GONG , Weihui ZHONG , Jingli XIE . Highly effective catalytic synthesis of β-amino alcohols by using viologen-polyoxometalate hybrid materials. Chinese Journal of Inorganic Chemistry, 2025, 41(7): 1294-1300. doi: 10.11862/CJIC.20250080
15. [15]
  Xiangyu CHEN , Zhenzhen MIAO , Ligang XU , Guangbao WU , Zhuang LIU , Wenzhen LÜ , Runfeng CHEN . Research progress on low-dimensional organic-inorganic hybrid metal halide optoelectronic materials. Chinese Journal of Inorganic Chemistry, 2025, 41(11): 2201-2217. doi: 10.11862/CJIC.20250056
16. [16]
  Weifeng Yu , Junqiao Zhuo . Stereoisomeric Analysis of Adamantane and Hexamethylenetetramine. University Chemistry, 2026, 41(6): 434-440. doi: 10.12461/PKU.DXHX202503125
17. [17]
  Jiali CHEN , Guoxiang ZHAO , Yayu YAN , Wanting XIA , Qiaohong LI , Jian ZHANG . Machine learning exploring the adsorption of electronic gases on zeolite molecular sieves. Chinese Journal of Inorganic Chemistry, 2025, 41(1): 155-164. doi: 10.11862/CJIC.20240408
18. [18]
  Jingwen Wang , Minghao Wu , Xing Zuo , Yaofeng Yuan , Yahao Wang , Xiaoshun Zhou , Jianfeng Yan . Advances in the Application of Electrochemical Regulation in Investigating the Electron Transport Properties of Single-Molecule Junctions. University Chemistry, 2025, 40(3): 291-301. doi: 10.12461/PKU.DXHX202406023
19. [19]
  Cen Zhou , Biqiong Hong , Yiting Chen . Application of Electrochemical Techniques in Supramolecular Chemistry. University Chemistry, 2025, 40(3): 308-317. doi: 10.12461/PKU.DXHX202406086
20. [20]
  Lu Zheng , Yueying Sun , Xin Ding , Jitao Liu . Preparation of 3D Printed Metamaterials Based on Molecular Design. University Chemistry, 2026, 41(1): 253-263. doi: 10.12461/PKU.DXHX202506019

Get Citation

PDF

XML

Metrics

PDF Downloads(1936)
Abstract views(4049)
HTML views(143)

通讯作者: 陈斌, bchen63@163.com

1.
沈阳化工大学材料科学与工程学院沈阳 110142

Address：Zhongguancun North First Street 2,100190 Beijing, PR China Tel: +86-010-82449177-888

DownLoad: Full-Size Img PowerPoint

Return

Blue- and Red-Shifted Hydrogen Bonds between HNO and (HF)1≤n≤3

Metrics

通讯作者: 陈斌, bchen63@163.com

Blue- and Red-Shifted Hydrogen Bonds between HNO and (HF)_1≤n≤3