Icelike Vibrational Properties of Strong Hydrogen Bonds in Hydrated Lithium Nitrate

2020 ◽  
Vol 124 (28) ◽  
pp. 5784-5789
Author(s):  
Daniel Hutzler ◽  
Klara Stallhofer ◽  
Reinhard Kienberger ◽  
Eberhard Riedle ◽  
Hristo Iglev
Keyword(s):  
Hydrogen Bonds ◽  
Vibrational Properties ◽  
Lithium Nitrate

Cooperative vibrational properties of hydrogen bonds in Watson–Crick DNA base pairs

2017 ◽  
Vol 41 (20) ◽  
pp. 12104-12109 ◽  
Author(s):  
Yulei Shi ◽  
Wanrun Jiang ◽  
Zhiyuan Zhang ◽  
Zhigang Wang
Keyword(s):  
Hydrogen Bonds ◽  
Vibrational Properties ◽  
Base Pairs ◽  
Dna Base ◽  
Dna Base Pairs

For the AT pair, Symst and Strech peaks further shift toward the red, giving the H-bonds an amplified effect (orange arrows).

Investigation of electronic and vibrational properties of dihydroxylammonium 5,5′-bistetrazole-1,1′-diolate under high-pressure conditions

2021 ◽  
Vol 23 (12) ◽  
pp. 7442-7448
Author(s):  
Junyu Fan ◽  
Yan Su ◽  
Jijun Zhao
Keyword(s):  
High Pressure ◽  
Hydrogen Bonds ◽  
Electronic Properties ◽  
Structural Transformation ◽  
Vibrational Properties ◽  
Intermolecular Hydrogen Bonds

The vibrational and electronic properties of TKX-50 reveal the enhanced intermolecular hydrogen bonds cause the change of intramolecular geometry of TKX-50, thereby triggering possible structural transformation.

Dynamics of Weak, Bifurcated, and Strong Hydrogen Bonds in Lithium Nitrate Trihydrate

2011 ◽  
Vol 2 (13) ◽  
pp. 1633-1638 ◽  
Author(s):  
Jasper C. Werhahn ◽  
Stanislav Pandelov ◽  
Sotiris S. Xantheas ◽  
Hristo Iglev
Keyword(s):  
Hydrogen Bonds ◽  
Lithium Nitrate ◽  
Nitrate Trihydrate

scholarly journals Структура и колебательные свойства гидратов оксианионных кристаллов из первых принципов

2018 ◽  
Vol 60 (10) ◽  
pp. 2014
Author(s):  
Д.В. Корабельников ◽  
Ю.Н. Журавлев
Keyword(s):  
Hydrogen Bonds ◽  
Density Functional ◽  
Lithium Nitrate ◽  
Functional Theory ◽  
The Density Functional Theory ◽  
Stretching Vibration ◽  
Intramolecular Vibrations ◽  
Energy Of Hydrogen Bonds ◽  
Sulfate Hydrate ◽  
The Relationship

AbstractStructural parameters and IR spectra of hydrates of lithium and sodium perchlorates, calcium sulfate hydrate (gypsum), and lithium nitrate hydrate are calculated ab initio using the density functional theory. The bond lengths in the water molecules are established as functions of length and energy of hydrogen bonds. The relationship between lengths of intra-anionic and hydrogen bonds is considered. The splitting of intramolecular vibrations of water is highlighted. The stretching vibration frequency of water is determined as a function of length and energy of hydrogen bonds. The combined (mixed) vibrations of anions and molecules of water with frequencies below 1400 cm^–1 are feasible as well.

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