Journal ArticleDOI
Infrared spectra of benzoic acid monomers and dimers in argon matrix
TLDR
In this paper, the infrared spectra of benzoic and deuterobenzoic acids isolated in Ar matrices were measured using the matrix-to-sample (M / S ) ratios 750 and 250.About:
This article is published in Vibrational Spectroscopy.The article was published on 1996-05-01. It has received 112 citations till now. The article focuses on the topics: Benzoic acid & Matrix isolation.read more
Citations
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Adsorption and Immobilization of Cytochrome c on Nanodiamonds
TL;DR: Methods have been developed to immobilize proteins onto the surfaces of diamonds with an average size of 5 +/- 1 nm using heterobifunctional cross-linkers and yeast cytochrome c, which possesses a free SH group for linkage and a characteristic Soret absorption band for observation.
Journal ArticleDOI
Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration
TL;DR: In this article, the authors examined the dissociation mechanism of microporous paddle wheel frameworks M(bdc)(ted)0.5 [M=Cu, Zn, Ni, Co; bdc= 1,4-benzenedicarboxylate; ted= triethylenediamine] in controlled humidity environments.
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Matrix-Isolation Infrared and Theoretical Studies of the Glycine Conformers
Stepan G. Stepanian,Igor Reva,E. D. Radchenko,Mário T. S. Rosado,M. L. T. S. Duarte,Rui Fausto,Ludwik Adamowicz +6 more
TL;DR: In this article, the IR spectra of nonionized glycine and its deuterated derivatives isolated in the low-temperature argon matrices have been measured, and for the first time the infrared spectral characteristics of the three most stable conformers have been determined and assigned.
Journal ArticleDOI
Stability and Hydrolyzation of Metal Organic Frameworks with Paddle-Wheel SBUs upon Hydration
TL;DR: In this article, the authors examined the dissociation mechanism of microporous paddle wheel frameworks M(bdc)(ted)0.5 [M = Cu, Zn, Ni, Co; bdc = 1,4-benzenedicarboxylate; ted = triethylenediamine] in controlled humidity environments.
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Theoretical modeling of the OH stretch infrared spectrum of carboxylic acid dimers based on first-principles anharmonic couplings
TL;DR: In this article, cubic anharmonic constants are computed along internal coordinates associated with the intramolecular OH stretch, intermolecular stretch, and OH bend internal coordinates for the formic acid and benzoic acid dimers.
References
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Development and use of quantum mechanical molecular models. 76. AM1: a new general purpose quantum mechanical molecular model
TL;DR: In this paper, a new parametric quantum mechanical molecular model, AM1 (Austin Model l), based on the NDDO approximation, is described, in which the major weaknesses of MNDO, in particular failure to reproduce hydrogen bonds, have been overcome without any increase in computing time.
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The rotamerization of conformers of glycine isolated in inert gas matrices. An infrared spectroscopic study
Igor Reva,A. M. Plokhotnichenko,Stepan G. Stepanian,Alexander Yu. Ivanov,Eugeni D. Radchenko,G.G. Sheina,Yuri P. Blagoi +6 more
TL;DR: In this paper, the infrared spectra of glycine isolated in Ne, Ar and Kr matrices have been measured and three different conformers of the glycine have been identified experimentally for the first time.
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Ab initio studies of free and monohydrated carboxylic acids in the gas phase
TL;DR: In this article, the MP2/6-31G* geometry optimizations were used to reproduce the available experimental gas-phase structures for simple carboxylic acids, R-COOH (R=methyl, ethyl, vinyl, phenyl, and hydroxyphenyl), and the monohydrates of acetic and benzoic acids.
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Infrared matrix isolation studies of amino acids. Molecular structure of proline
Igor Reva,Stepan G. Stepanian,A. M. Plokhotnichenko,E. D. Radchenko,G.G. Sheina,Yu. P. Blagoi +5 more
TL;DR: In this paper, the IR spectra of proline and deuteroproline isolated in low temperature Ar matrixes have been obtained using normal coordinate analysis and it is shown that band splitting in the spectra is caused by the occurrence of two proline conformations.
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An ab initio calculation on proton transfer in the benzoic acid dimer
TL;DR: In this paper, the authors made an ab initio calculation of the barriers for proton transfer in the hydrogen-bonded dimers of benzoic acid and acetic acid.