The near infrared, visible, and near ultraviolet overtone spectrum of water

Carleer, Michel; Jenouvrier, A.; Vandaele, Ann Carine; Bernath, Peter F.; Mérienne, M.-F.; Colin, Réginald; Zobov, Nikolai F.; Polyansky, Oleg L.; Tennyson, Jonathan; Savin, V.A.

doi:10.1063/1.479859

Cited by 118 publications

(102 citation statements)

References 39 publications

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“…39 The specific absorption in the visible region and unique NIR emission characteristics of the amorphous ferric hydroxide can be applicable to heat up a system by photothermal conversion process. In principle, such the NIR emission well overlap with the combinational vibration modes of water molecule, as indicated by shade regions in Figure 3, 40 hence, it is generally expected that NIR emission can be consumed to excite vibrational modes of neighbor water molecules. Therefore, in this mixture aqueous solution, it does not surprise observing the temperature elevation under light irradiation.…”

Section: Communicationmentioning

confidence: 99%

Novel optical properties of amorphous ferric hydroxide in near infrared region

Kang¹,

Chae²

2015

Rapid Communication in Photoscience

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New spectroscopic characteristics of amorphous ferric hydroxide (Fe(OH) 3 ), interestingly in the near infrared (NIR) region, are presented in this study. The absorption spectrum of ferric hydroxide covers wide spectral regions from ultraviolet to NIR (200 ~ 900 nm). Unique emission bands were newly observed in the NIR regions (800 ~ 1400 nm). Several bands of this NIR emission are quiet well overlapped with the combinational vibrational absorption bands of water. From photothermal conversion study, very interestingly, temperature of aqueous mixture solution including the amorphous ferric hydroxide was significantly increased from ambient temperature to 38 °C for 30 minutes under irradiation of a standard helium lamp.Thermal therapy is one of the popular therapeutic approaches to treat various medical conditions, such as desensitizing neuralgia, [1][2][3] obstructive tonsillar hypertrophy, 4 and killing malignant tumor.5-9

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Section: Communicationmentioning

confidence: 99%

Novel optical properties of amorphous ferric hydroxide in near infrared region

Kang¹,

Chae²

2015

Rapid Communication in Photoscience

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“…On the experimental side, new overtone spectra of water have been recorded in the visible and near UV region (2)(3). In the infrared, new spectra of hot water emission have now been measured (4-7) from 400 to 6000 cm ¢ in the laboratory.…”

Section: Introductionmentioning

confidence: 99%

Emission Spectrum of Hot HDO in the 380–2190 cm−1 Region

Parekunnel¹,

Bernath²,

Zobov³

et al. 2001

Journal of Molecular Spectroscopy

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“…A series of papers dealt with assignment of hot and cold laboratory spectra of water vapour [40][41][42][43][44][45][46][47][48][49][50][51] using variational approaches. These allowed a significant increase in the number of vibrational states observed and in the number of assigned spectral lines with correct rotational and vibrational quantum numbers.…”

Section: Conventional Spectra Of the Water Monomermentioning

confidence: 99%

Global spectroscopy of the water monomer

Polyansky

Zobov

Mizus

et al. 2012

Phil. Trans. R. Soc. A.

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Given the large energy required for its electronic excitation, the most important properties of the water molecule are governed by its ground potential energy surface (PES). Novel experiments are now able to probe this surface over a very extended energy range, requiring new theoretical procedures for their interpretation. As part of this study, a new, accurate, global spectroscopic-quality PES and a new, accurate, global dipole moment surface are developed. They are used for the computation of the high-resolution spectrum of water up to the first dissociation limit and beyond as well as for the determination of Stark coefficients for high-lying states. The water PES has been determined by combined ab initio and semi-empirical studies. As a first step, a very accurate, global, ab initio PES was determined using the all-electron, internally contracted multi-reference configuration interaction technique together with a large Gaussian basis set. Scalar relativistic energy corrections are also determined in order to move the energy determinations close to the relativistic complete basis set full configuration interaction limit. The electronic energies were computed for a set of about 2500 geometries, covering carefully selected configurations from equilibrium up to dissociation. Nuclear motion computations using this PES reproduce the observed energy levels up to 39 000 cm −1 with an accuracy of better than 10 cm −1 . Line positions and widths of resonant states above dissociation show an agreement with experiment of about 50 cm −1 . An improved semi-empirical PES is produced by fitting the ab initio PES to accurate experimental data, resulting in greatly improved accuracy, with a maximum deviation of about 1 cm −1 for all vibrational band origins. Theoretical results based on this semi-empirical surface are compared with experimental data for energies starting at 27 000 cm −1 , going all the way up to dissociation at about 41 000 cm −1 and a few hundred wavenumbers beyond it.

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The near infrared, visible, and near ultraviolet overtone spectrum of water

Cited by 118 publications

References 39 publications

Novel optical properties of amorphous ferric hydroxide in near infrared region

Novel optical properties of amorphous ferric hydroxide in near infrared region

Emission Spectrum of Hot HDO in the 380–2190 cm−1 Region

Global spectroscopy of the water monomer

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