Carbon-hydrogen stretching overtone spectra of nitrobenzene and its deuterated derivatives. Assignment of the ortho carbon-hydrogen bond

Gough, Kathleen; Henry, Bryan R.

doi:10.1021/j100243a003

Cited by 21 publications

(11 citation statements)

References 1 publication

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“…The C-Cl bond length is found 1.737Å expt. [20], 0.016Å smaller than the calculated value (1.753Å) by B3LYP/6-311G (d, p). The C-Br bond length is 1.867Å expt.…”

Section: Fig 4 Comparative Graph Of Ir Intensities By Hf/dft(b3lyp)contrasting

confidence: 56%

FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations

Ramalingam¹,

Anbusrinivasan²,

Periandy³

2011

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…The C-Cl bond length is found 1.737Å expt. [20], 0.016Å smaller than the calculated value (1.753Å) by B3LYP/6-311G (d, p). The C-Br bond length is 1.867Å expt.…”

Section: Fig 4 Comparative Graph Of Ir Intensities By Hf/dft(b3lyp)contrasting

confidence: 56%

FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations

Ramalingam¹,

Anbusrinivasan²,

Periandy³

2011

Spectrochimica Acta Part A: Molecular and Biomolecular Spectros

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“…Accordingly, in this range there is one observed vibration, which is 3094, 3021 and 3075 cm À1 for molecules of I, II and III, respectively [5]. In the present study, the four adjacent hydrogen atoms left around the ring the para-halogen benzene sulfonamide give rise four C-H stretching modes (40)(41)(42)(43), four C-H in plane bending (30)(31)(32)(33) and four C-H out-of-plane bending (20,21,23,24) vibrations which corresponds to modes of C(2)-H(7), C(3)-H(8), C(5)-H(9), and C(6)-H(10) units. In our calculations, C-H stretching vibrations are predicted in the range 3073-3087 cm À1 (B3LYP), which are in agreement with experimental assignment [5].…”

Section: Vibrational Analysissupporting

confidence: 49%

“…The changes for bond length of the C-H bond on substitution, the substituents may be of the electron withdrawing type (Cl, F, Br, etc. ), due to a change in the charge distribution on the carbon atom of the benzene ring were explained by many authors [22][23][24][25]. The carbon and hydrogen atoms are bonded with r-bond in benzene ring, and the substitution of halogen reduces the electron density at C atom.…”

Section: Molecular Geometriesmentioning

confidence: 99%

Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X=Cl, Br or F)

Karabacak

Çınar

Çoruh

et al. 2009

Journal of Molecular Structure

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“…After the vesicle is pressurized into a spherical shape, further suction acts to dilate the surface area and reduce internal volume. Because the pressures involved in these tests are several orders of magnitude smaller than the pressure required to filter water from the vesicle (against osmotic activity (17) The mean tension, t, is uniform over the entire vesicle surface and is given by the suction pressure, P, and pipet/vesicle dimensions' 7 = PR,/(2 2Rp/Ro)…”

Section: Vesicle Deformation Tests and Methods Of Analysismentioning

confidence: 99%

Physical properties of surfactant bilayer membranes: thermal transitions, elasticity, rigidity, cohesion and colloidal interactions

Evans¹,

Needham²

1987

J. Phys. Chem.

788

703

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Simple micromechanical methods provide direct measurements of surface cohesion, elasticity, rigidity, and mutual attraction properties of surfactant double-layer membranes in aqueous media. Temperature-dependent tests yield explicit data for thermal phase transitions. Properties of mixtures of phospholipids (neutral and charged), cholesterol, and polypeptides have been studied. The results are essential for evaluation of theories of surfactant mixing, lamellar phase transitions, colloidal stabilization, and flocculation. IntroductionThe lamellar configuration of biological membrane structures is peculiar to the preferential assembly of amphiphilic molecules into molecular double layers. The strong preference for the lamellar configuration is evidenced by the negligible solubility of these molecules-and extremely slow rate of exchange from a membrane capsule-in aqueous media. In this condensed state, bilayer membranes exhibit solid-or liquidlike material behavior with the common feature of limited surface compressibility (Le. great resistance to change in surface density). Because of the thin structure (~( 3 -4 ) X lo-' cm), bilayer fragility and limited detectability by optical methods create significant obstacles to measurement of the physical-mechanical properties. Recently, micromechanical techniques have been developed to investigate thermal transitions, cohesion, elasticity, and surface rigidity of bilayer membranes in situ. '-3 Bilayers interact nonspecifically via long-range electrostatic, electrodynamic, and solvation These colloidal forces are commonly recognized as van der Waals attraction, electric double-layer repulsion, and hydration repulsion. Other steric and structural interactions exist that are not yet clearly understood. Even though the magnitude of each interaction can be very large, the free energy minimum at stable contact is extremely low. Again because of micromechanical technology, it is possible to directly measure the cumulated free energy potential for assembly (adhesion) of membrane surfaces to stable ~o n t a c t .~,~-' * In this article, we discuss how mixtures of lipids, cholesterol, and polypeptides affect the thermal-mechanical and colloidal interaction properties of bilayer membranes. We outline prominent

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Carbon-hydrogen stretching overtone spectra of nitrobenzene and its deuterated derivatives. Assignment of the ortho carbon-hydrogen bond

Cited by 21 publications

References 1 publication

FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations

FT-IR and FT-Raman spectral investigation, computed IR intensity and Raman activity analysis and frequency estimation analysis on 4-chloro-2-bromoacetophenone using HF and DFT calculations

Theoretical investigation on the molecular structure, Infrared, Raman and NMR spectra of para-halogen benzenesulfonamides, 4-X-C6H4SO2NH2 (X=Cl, Br or F)

Physical properties of surfactant bilayer membranes: thermal transitions, elasticity, rigidity, cohesion and colloidal interactions

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