scholarly journals Identification of individual conformers in C4H6O isomers using conformer-specific vibrational spectroscopy

RSC Advances ◽  
2021 ◽  
Vol 11 (60) ◽  
pp. 38240-38246
Author(s):  
Sung Man Park ◽  
Chan Ho Kwon
Keyword(s):  
Vibrational Spectroscopy ◽  
Vibrational Spectra ◽  
Vacuum Ultraviolet ◽  
Threshold Ionization ◽  
Mati Spectroscopy ◽  
First Time

We measured the conformer-specific vibrational spectra of C4H6O isomers in neutral and cationic states using IR resonant vacuum ultraviolet mass-analyzed threshold ionization (VUV-MATI) spectroscopy for the first time.

Conformational structures of the tetrahydrofuran cation determined using one-photon mass-analyzed threshold ionization spectroscopy

2017 ◽  
Vol 19 (45) ◽  
pp. 30362-30369 ◽  
Author(s):  
Sung Man Park ◽  
Yu Ran Lee ◽  
Do Won Kang ◽  
Hong Lae Kim ◽  
Chan Ho Kwon
Keyword(s):  
Vacuum Ultraviolet ◽  
Photon Mass ◽  
Threshold Ionization ◽  
Dna And Rna ◽  
Mati Spectroscopy

One-photon vacuum ultraviolet mass-analyzed threshold ionization (VUV-MATI) spectroscopy was used to characterize the essential conformations of tetrahydrofuran (THF) and thus determine the stereochemistry of the furanose ring constituting the backbones of DNA and RNA.

VIBRATIONAL SPECTROSCOPY OF CO/Cu(211) WITH A CO TERMINATED TIP

1999 ◽  
Vol 13 (20) ◽  
pp. 709-715 ◽  
Author(s):  
FRANCESCA MORESCO ◽  
GERHARD MEYER ◽  
KARL HEINZ RIEDER
Keyword(s):  
Vibrational Spectroscopy ◽  
Scanning Tunneling Microscope ◽  
Scanning Tunneling ◽  
Rotational Mode ◽  
Tunneling Microscope ◽  
Vibrational Excitations ◽  
Translational Mode ◽  
Inelastic Tunneling ◽  
Open Question ◽  
First Time

Vibrational excitations of an isolated CO molecule adsorbed on a Cu(211) surface have been, for the first time, observed with a CO terminated scanning tunneling microscope tip. Both the frustrated translational and rotational modes were observed, and in agreement with the case of a metallic tip. The presence of a CO molecule on the tip, transferred by controlled vertical manipulation, strongly influences the frustrated translational mode of the CO molecule, while it does not affect the frustrated rotational mode. The present work demonstrates that scanning tunneling vibrational spectroscopy is also possible with a molecule at the end of the tip, opening new interesting fields of research and putting some more light on the still open question of inelastic tunneling and its selection rules.

scholarly journals Complementary vibrational spectroscopy

2019 ◽  
Vol 10 (1) ◽  
Author(s):  
Kazuki Hashimoto ◽  
Venkata Ramaiah Badarla ◽  
Akira Kawai ◽  
Takuro Ideguchi
Keyword(s):  
Raman Scattering ◽  
Vibrational Spectroscopy ◽  
Infrared Absorption ◽  
Vibrational Spectra ◽  
Molecular Spectroscopy ◽  
High Spectral Resolution ◽  
Organic Liquids ◽  
Label Free ◽  
Molecular Fingerprint ◽  
Raman Scattering Spectroscopy

Abstract Vibrational spectroscopy, comprised of infrared absorption and Raman scattering spectroscopy, is widely used for label-free optical sensing and imaging in various scientific and industrial fields. The two molecular spectroscopy methods are sensitive to different types of vibrations and provide complementary vibrational spectra, but obtaining complete vibrational information with a single spectroscopic device is challenging due to the large wavelength discrepancy between the two methods. Here, we demonstrate simultaneous infrared absorption and Raman scattering spectroscopy that allows us to measure the complete broadband vibrational spectra in the molecular fingerprint region with a single instrument based on an ultrashort pulsed laser. The system is based on dual-modal Fourier-transform spectroscopy enabled by efficient use of nonlinear optical effects. Our proof-of-concept experiment demonstrates rapid, broadband and high spectral resolution measurements of complementary spectra of organic liquids for precise and accurate molecular analysis.

Metal defects in HKUST-1 MOF revealed by vibrational spectroscopy: a combined quantum mechanical and experimental study

2020 ◽  
Vol 8 (21) ◽  
pp. 10796-10812 ◽  
Author(s):  
Francesco Silvio Gentile ◽  
Marianna Pannico ◽  
Mauro Causà ◽  
Giuseppe Mensitieri ◽  
Giulio Di Palma ◽  
...  
Keyword(s):  
Experimental Study ◽  
Theoretical Analysis ◽  
Ab Initio ◽  
Raman Spectra ◽  
Vibrational Spectroscopy ◽  
Vibrational Spectra ◽  
Quantum Mechanical

This paper reports an interpretation of the FTIR and Raman spectra of the HKUST-1 MOF in light of an ab initio theoretical analysis of the vibrational spectra of the framework.

Equilibrium molecular structure and spectra of 6-methyl-1,5-diazabicyclo[3.1.0]hexane: joint analysis of gas phase electron diffraction, quantum chemistry, and spectroscopic data

2020 ◽  
Vol 22 (39) ◽  
pp. 22477-22492
Author(s):  
Leonid S. Khaikin ◽  
Georgiy G. Ageev ◽  
Anatoliy N. Rykov ◽  
Olga E. Grikina ◽  
Igor F. Shishkov ◽  
...  
Keyword(s):  
Molecular Structure ◽  
Electron Diffraction ◽  
Quantum Chemistry ◽  
Gas Phase ◽  
Vibrational Spectra ◽  
Spectroscopic Data ◽  
Joint Analysis ◽  
Equilibrium Molecular Structure ◽  
First Time ◽  
Gas Phase Electron Diffraction

For the first time, the molecular structure of 6-methyl-1,5-diazabicyclo[3.1.0]hexane was determined and its NMR and vibrational spectra were studied.

Identification and composition of conformational isomers and their cations in crotonaldehyde by VUV-MATI spectroscopy

2018 ◽  
Vol 20 (42) ◽  
pp. 27162-27168 ◽  
Author(s):  
Sung Man Park ◽  
Hong Lae Kim ◽  
Chan Ho Kwon
Keyword(s):  
Ambient Temperature ◽  
Conformational Isomers ◽  
Mati Spectroscopy ◽  
First Time

Composition of the crotonaldehyde sample at ambient temperature was determined as 93.0%, 3.4%, 3.4%, and 0.2% for the tt-/tc-/ct-/cc-conformers, respectively, for the first time.

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