Odor and Molecular Vibration

1981 ◽  
pp. 123-141
Author(s):  
R. H. WRIGHT
Keyword(s):  
Molecular Vibration

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

A Thorough Theoretical Exploration of Intriguing Characteristics of Cyclo[18]carbon: Geometry, Bonding Nature, Aromaticity, Weak Interaction, Reactivity, Excited States, Vibrations, Molecular Dynamics and Various Molecular Properties

2019 ◽  
Author(s):  
Tian Lu ◽  
Qinxue Chen ◽  
Zeyu Liu
Keyword(s):  
Molecular Dynamics ◽  
Excited States ◽  
Electronic Excitation ◽  
Ring Structure ◽  
Molecular Properties ◽  
Molecular Vibration ◽  
Full Characterization ◽  
Long Time ◽  
Almost All

Although cyclo[18]carbon has been theoretically and experimentally investigated since long time ago, only very recently it was prepared and directly observed by means of STM/AFM in condensed phase (Kaiser et al., <i>Science</i>, <b>365</b>, 1299 (2019)). The unique ring structure and dual 18-center π delocalization feature bring a variety of unusual characteristics and properties to the cyclo[18]carbon, which are quite worth to be explored. In this work, we present an extremely comprehensive and detailed investigation on almost all aspects of the cyclo[18]carbon, including (1) Geometric characteristics (2) Bonding nature (3) Electron delocalization and aromaticity (4) Intermolecular interaction (5) Reactivity (6) Electronic excitation and UV/Vis spectrum (7) Molecular vibration and IR/Raman spectrum (8) Molecular dynamics (9) Response to external field (10) Electron ionization, affinity and accompanied process (11) Various molecular properties. We believe that our full characterization of the cyclo[18]carbon will greatly deepen researchers' understanding of this system, and thereby help them to utilize it in practice and design its various valuable derivatives.

Molecular vibration assisted triplet-triplet annihilation nir-upconversion luminescence of fluorescein

2019 ◽  
Vol 96 ◽  
pp. 109286
Author(s):  
Abhishek Kumar ◽  
Luís Pinto da Silva ◽  
Joaquim C.G. Esteves da Silva ◽  
Kaushal Kumar
Keyword(s):  
Upconversion Luminescence ◽  
Molecular Vibration ◽  
Triplet Triplet Annihilation

Molecular Vibration Theoretical Analysis of Two-Dimensional Photoelectric Conversion Material WSe2

2018 ◽  
Vol 765 ◽  
pp. 16-23
Author(s):  
Rui Zhang ◽  
Hong Bo Li ◽  
Guo Qiang Hao ◽  
Wen Bo Liu ◽  
Xiao Jun Ye ◽  
...  
Keyword(s):  
Theoretical Analysis ◽  
Density Functional ◽  
Molecular Vibration ◽  
Raman Shift ◽  
Vibration Modes ◽  
Photoelectric Conversion ◽  
Functional Theory ◽  
Conversion Materials ◽  
Direct Band ◽  
New Generation

Monolayer WSe2is flexible, nearly transparent and direct band-gap semiconductor with the potential to be new generation thin film photoelectric conversion materials. The molecule vibration modes of monolayer and bulk WSe2was analyzed by factor group and the phonons dispersion and vibration frequency was calculated by first-principles based on density functional theory. Furthermore, the comparison between the above calculations and experiment values of Raman shift of monolayer and bulk WSe2was made to verify the accuracy of theoretical analysis and theoretically explain the differences of monolayer and bulk WSe2materials in Raman spectra.

De‐Excitation of Molecular Vibration by Collision

1962 ◽  
Vol 36 (3) ◽  
pp. 618-622 ◽  
Author(s):  
Ernest Bauer ◽  
F. W. Cummings
Keyword(s):  
Molecular Vibration
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