Effect of Cations on Absorption Bands of First Electronic Transition of Liquid Water

2010 ◽  
Vol 114 (32) ◽  
pp. 8319-8322 ◽  
Author(s):  
Akifumi Ikehata ◽  
Motoki Mitsuoka ◽  
Yusuke Morisawa ◽  
Naomi Kariyama ◽  
Noboru Higashi ◽  
...  
Keyword(s):  
Liquid Water ◽  
Electronic Transition ◽  
Absorption Bands

scholarly journals Detection of ammonia on Pluto’s surface in a region of geologically recent tectonism

2019 ◽  
Vol 5 (5) ◽  
pp. eaav5731 ◽  
Author(s):  
C. M. Dalle Ore ◽  
D. P. Cruikshank ◽  
S. Protopapa ◽  
F. Scipioni ◽  
W. B. McKinnon ◽  
...  
Keyword(s):  
Liquid Water ◽  
Freezing Point ◽  
Charged Particles ◽  
Tectonic Activity ◽  
Absorption Bands ◽  
Geological Process ◽  
New Horizons ◽  
Extensional Tectonic ◽  
Ultraviolet Photons ◽  
Recent Deposition

We report the detection of ammonia (NH3) on Pluto’s surface in spectral images obtained with the New Horizons spacecraft that show absorption bands at 1.65 and 2.2 μm. The ammonia signature is spatially coincident with a region of past extensional tectonic activity (Virgil Fossae) where the presence of H2O ice is prominent. Ammonia in liquid water profoundly depresses the freezing point of the mixture. Ammoniated ices are believed to be geologically short lived when irradiated with ultraviolet photons or charged particles. Thus, the presence of NH3 on a planetary surface is indicative of a relatively recent deposition or possibly through exposure by some geological process. In the present case, the areal distribution is more suggestive of cryovolcanic emplacement, however, adding to the evidence for ongoing geological activity on Pluto and the possible presence of liquid water at depth today.

Resonance Raman labels: spectroscopic studies on cis- and trans-4-benzylidene-2-phenyl-Δ2 -oxazolin-5-one and an isotopically substituted analog

1978 ◽  
Vol 56 (2) ◽  
pp. 232-239 ◽  
Author(s):  
K. Kumar ◽  
D. J. Phelps ◽  
P. R. Carey
Keyword(s):  
Raman Spectra ◽  
Electronic Transition ◽  
Raman Band ◽  
Resonance Raman ◽  
Spectroscopic Studies ◽  
Trans Isomers ◽  
Absorption Bands ◽  
Cis And Trans Isomers ◽  
Raman Excitation Profiles ◽  
Cis And Trans

The absorption and preresonance Raman spectra of cis- and trans-4-benzylidene-2-phenyl-Δ2-oxazoIin-5-one are reported. Although steric considerations suggest that the π electron pathway in the cis isomer is considerably distorted compared to the trans isomer, the Raman and absorption spectra of the two isomers are strikingly similar. Preresonance Raman excitation profiles for the cis and trans isomers indicate that the main features in the Raman spectra owe their intensity to coupling to the 360 nm absorption band present in both isomers. It is proposed that both the electronic dipole transition responsible for this absorption and the vibrational modes giving rise to the intense Raman bands are localized in the —C=C—N=C—Ph part of the molecule. Thus the main Raman and absorption bands are insensitive to isomerization in the benzylidene portion. Support for a localized electronic transition, polarized along the —C=C—N=C—Ph long axis, comes from Raman depolarization ratio (ρ) measurements which show that ail intense Raman features in both cis and trans isomers have ρ ∼ 0.33. Further support comes from ir and resonance Raman spectra of trans-4-(4-dimethylamino-3-nitrobenzylidene)-2-phenyloxazolin-5-one substituted either with 13C in the 4 position, or with 15N, in the oxazolinone ring. These spectra indicate that the main Raman feature seen in all 4-benzylidene-2-phenyloxazolinonesat 1561 cm−1 is a symmetric stretching mode associated with the —C=C—N=C— chain and that this feature has some C=N stretching character. The substitution experiments also show that the weak 1654 cm−1 Raman band has a high degree of C=C stretching character and may represent an essentially antisymmetric mode from the C=C—N=C moiety. The preresonance Raman excitation profiles show that the intensity enhancement follows an FB2 type dependence. The utility of the Raman spectrum as a probe for the chromophore responsible for the electronic transition in a highly conjugated system is discussed.

scholarly journals Gibbs free energy of liquid water derived from infrared measurements

2014 ◽  
Vol 16 (45) ◽  
pp. 24830-24840 ◽  
Author(s):  
Isabelle Bergonzi ◽  
Lionel Mercury ◽  
Jean-Blaise Brubach ◽  
Pascale Roy
Keyword(s):  
Free Energy ◽  
Gibbs Free Energy ◽  
Liquid Water ◽  
Absorption Bands ◽  
Thermal Range ◽  
Infrared Measurements ◽  
Ir Bands

A completely new set of IR bands of liquid water from 4 cm−1 to 4000 cm−1 is studied from spectroscopic and thermodynamic viewpoints over a large thermal range, evidencing the so-called isosbestic points on the different absorption bands.

Rotational analysis of the 13 200 and 13 400 cm−1 bands of NO2 by means of Fourier transform spectroscopy

1982 ◽  
Vol 60 (9) ◽  
pp. 1288-1302 ◽  
Author(s):  
A. Perrin ◽  
J. -M. Flaud ◽  
C. Camy-Peyret ◽  
P. Luc
Keyword(s):  
Fourier Transform ◽  
High Resolution ◽  
Ground State ◽  
Electronic Transition ◽  
Spin Orbit ◽  
Rotational Analysis ◽  
Coriolis Coupling ◽  
Absorption Bands ◽  
Vibrational Assignments ◽  
Fourier Transform Spectra

The analysis of two parallel absorption bands of NO2, at 13 400 and 13 200 cm−1 respectively, has been performed using high resolution Fourier transform spectra. This paper is an extension of the work performed on the 7390 Å band (13 500 cm−1) in 1977 by Hallin and Merer, and completed in 1980 by Perrin, Camy-Peyret, Flaud, and Luc.The lines involving the Ka = 0, 1, 2, 3, 4 stacks for the 13 400 cm−1 band and Ka = 0, 1, 3, 4 for the 13 200 cm−1 band have been assigned and considerable spin–orbit and/or Coriolis coupling induced transitions have been detected.The 13 400 cm−1 band can be considered as belonging to the [Formula: see text] electronic transition, while the 13 200 cm−1 band might be, as the 7390 Å band (at 13 500 cm−1), a transition within the ground state manifold which barrows its intensity through vibronic coupling from the 13 400 cm−1 band. Tentative vibrational assignments are given.

Hydrogen bonding in water and ice

1968 ◽  
Vol 46 (22) ◽  
pp. 3579-3586 ◽  
Author(s):  
T. A. Ford ◽  
Michael Falk
Keyword(s):  
Hydrogen Bonding ◽  
Liquid Water ◽  
Intermolecular Potential ◽  
Absorption Bands ◽  
Different Temperatures ◽  
Stretching Vibrations

The absorption bands due to the OH and OD stretching vibrations of HDO in ice were measured between 0 and −182° and compared with the corresponding bands in liquid water. Their frequencies were correlated with the intermolecular potential energies of H2O and D2O. The distributions of the intermolecular energies in ice and in water at different temperatures were derived from the profiles of the bands.

Interpretation of the à ← X̃ transition of hydrated protons in aqueous solutions observed in the far-UV region with quantum chemical calculations

2017 ◽  
Vol 19 (32) ◽  
pp. 21490-21499 ◽  
Author(s):  
Takeyoshi Goto ◽  
Krzysztof B. Beć ◽  
Yukihiro Ozaki
Keyword(s):  
Aqueous Solutions ◽  
Quantum Chemical Calculations ◽  
Liquid Water ◽  
Electronic Transition ◽  
Quantum Chemical ◽  
Blue Shift ◽  
Transition Band ◽  
Hydrated Protons

A substantial blue-shift of the first electronic transition band of liquid water with a H2SO4 concentration (0–14.4 M) observed in the far-UV region.

Dyes: quantum chemical calculation of electronic spectra

2019 ◽  
Vol 4 (9) ◽  
Author(s):  
Heinz Mustroph
Keyword(s):  
Electronic Transition ◽  
Quantum Chemical ◽  
Transition Energy ◽  
Quantum Mechanical ◽  
Chemical Calculation ◽  
Absorption Process ◽  
Mechanical Theory ◽  
Absorption Bands ◽  
Quantum Mechanical Theory ◽  
Electronic Transition Energy

Abstract The basics of the quantum mechanical theory of the light absorption process, the simplifications of the theory in form of models and their application to dyes are reviewed. The factors governing the electronic transition energy, the intensity of the electronic transition and the vibrational fine structure of the absorption bands are examined.

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