Anharmonic coupling behind vibrational spectra of solvated ammonium: lighting up overtone states by Fermi resonance through tuning solvation environments

2020 ◽  
Vol 22 (41) ◽  
pp. 24059-24069
Author(s):  
Chih-Kai Lin ◽  
Qian-Rui Huang ◽  
Jer-Lai Kuo

Fascinating Fermi resonance bands emerge from anharmonic couplings between NH stretching fundamentals and bending overtones in ammonium-centered clusters.

2021 ◽  
Vol 125 (9) ◽  
pp. 1910-1918
Author(s):  
Chih-Kai Lin ◽  
Qian-Rui Huang ◽  
Ying-Cheng Li ◽  
Ha-Quyen Nguyen ◽  
Jer-Lai Kuo ◽  
...  

1989 ◽  
Vol 163 ◽  
Author(s):  
G.D. Watkins ◽  
W.B. Fowler ◽  
G.G. Deleo ◽  
M. Stavola ◽  
D.M. Kozuch ◽  
...  

Abstract10B - 11B isotope shifts have been reported recently for the vibrational frequencies of hydrogen (H) and its isotope deuterium (D) in the H-B complex in silicon. The D-10 B - D11 B shift was found to be anomalously large. We show that this effect finds a natural explanation in a phenomenon called “Fermi resonance”, arising from a weak anharmonic coupling between the second harmonic of the transverse B vibration and the longitudinal D vibration. We first present a simple classical explanation of the effect in terms of a “parametric oscillator”, or a child pumping a swing. We then outline a simple quantum mechanical treatment that provides a satisfactory quantitative explanation of the results. Our calculations also predict infrared absorption at the boron second harmonic frequencies. These are observed for both 10B and 11B with intensities and polarization as predicted, providing direct confirmation of the interpretation. The Pankove Si-H-B model, therefore, remains intact.


2021 ◽  
Vol 23 (6) ◽  
pp. 3739-3747
Author(s):  
Qian-Rui Huang ◽  
Tomoya Endo ◽  
Saurabh Mishra ◽  
Bingbing Zhang ◽  
Li-Wei Chen ◽  
...  

Vibrational spectra of the methyl groups in mono-methylamine (MMA), dimethylamine (DMA), and trimethylamine (TMA) monomers and their clusters were measured to capture their spectral features as a result of bend/umbrella-stretch Fermi resonance (FR).


2014 ◽  
Vol 40 (12) ◽  
pp. 1097-1103 ◽  
Author(s):  
A. Yu. Ivanov ◽  
Yu. V. Rubin ◽  
S. A. Egupov ◽  
L. F. Belous ◽  
V. A. Karachevtsev

2002 ◽  
Vol 605 (2-3) ◽  
pp. 187-198 ◽  
Author(s):  
N.A. Atamas ◽  
A.M. Yaremko ◽  
L.A. Bulavin ◽  
V.E. Pogorelov ◽  
S. Berski ◽  
...  

2020 ◽  
Vol 22 (38) ◽  
pp. 22035-22046 ◽  
Author(s):  
Chih-Kai Lin ◽  
Ryunosuke Shishido ◽  
Qian-Rui Huang ◽  
Asuka Fujii ◽  
Jer-Lai Kuo

The H-bonded NH stretching fundamentals of protonated amine–water clusters pass through the “Fermi resonance window” formed by bending overtones, generating split bands due to anharmonic couplings.


2020 ◽  
Author(s):  
Qian‐Rui Huang ◽  
Ryunosuke Shishido ◽  
Chih‐Kai Lin ◽  
Chen‐Wei Tsai ◽  
Jake A. Tan ◽  
...  

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