Results 271 to 280 of about 126,108 (367)

Microwave spectrum, conformation, intramolecular hydrogen bond, and dipole moment of pyrrole-2-carboxaldehyde

, 1974
K.‐M. Marstokk, Harald Møllendal
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A Ladder-type Dye with Large Transition Dipole Moment for Solvatochromism and Microphase Visualization.

ACS Applied Materials and Interfaces, 2019
Large transition dipole moment is usually pursued by strategies of twisted intramolecular charge transfer (TICT) or planar intramolecular charge transfer (PICT) to obtain obvious Stokes shifts and dramatic color changes with tuning of polarities. However,
Jian Cao, Qi-Ming Liu, Si-jie Bai, Hua-Chun Wang, Xiancheng Ren, Yun-Xiang Xu   +5 more
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Absolute infrared intensities of methane. Dipole moment derivatives and bond charge parameters

, 1980
J.H.G. Bode, W.M.A. Smit
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Oriented-External Electric Fields Create Absolute Enantioselectivity in Diels-Alder Reactions: Importance of the Molecular Dipole Moment.

Journal of the American Chemical Society, 2018
The manuscript studies the enantioselectivity and stereoselectivity of Diels-Alder (DA) cycloadditions between cyclopentadiene (CPD) and a variety of dienophiles (ranging from halo-ethenes to cyano-ethenes), under oriented external electric fields (OEEFs)
Zhanfeng Wang, D. Danovich, Rajeev Ramanan, S. Shaik   +3 more
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An upper bound to bond electric dipole moments [PDF]

Theoretical and Experimental Chemistry, 1985
An upper bound can be set to the dipole moment of the X-H bond (with X+H− polarity) for symmetrical molecules of XH4 and XH3 type from the experimental values of the g factor and bond length. The following upper bounds have been found to the bond dipole moments: CH4 μ(C+H−
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A valence bond study of the dipole moment of CO

Journal of Molecular Structure: THEOCHEM, 1992
Abstract Valence bond calculations of the dipole moment of CO are reported. Unlike the molecular orbital approximation, the simplest valence bond wavefunction gives the correct sign for the dipole moment. The molecular orbital wavefunction is analysed using insights from the valence bond calculations.
Mark R. Morrison, Robert G. A. R. Maclagan, Andrew Burritt   +2 more
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Electric bond and group dipole moments

Tetrahedron, 1969
Abstract Three concepts of bond moments are discussed to demonstrate that theoretical values, those determined from spectral intensities, and those from the analysis of experimental dipole moments cannot be combined into a satisfactory single scale of bond and group moments.
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Modelling and calculation of dipole moment functions for XH bonds

Canadian Journal of Chemistry, 1999
Two studies of aspects of modelling dipole moment functions of XH bonds in small molecules for use in calculating overtone intensities have been undertaken. The first study deals with the fitting of ab initio calculations of the dipole moment at discrete points to a functional form.
Martin L. Sage, Henrik G. Kjaergaard, Bryan R. Henry, Christopher D. Daub   +3 more
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Dipole moments of compounds containing a cobalttin bond

Journal of Organometallic Chemistry, 1975
Abstract The molecular electric dipole moments are reported for the series of tin-substituted tetracarbonyl cobalt compounds R n Y m−n Sn{Co(CO) 4 } 4− m ( m = 1–3 ; n ⩽ m ; R = alkyl, phenyl; Y = halogen). The effect of the substituents at the tin atom on the nature of the CoSn bond is established on calculating the (CO) 4 CoSn group ...
L.F. Wuyts, G.P. Van Der Kelen
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Ionic Character and the Dipole Moment of Chemical Bonds. Calculations of the Dipole Moment of HCl

The Journal of Chemical Physics, 1949
The method of assigning the ionic character of chemical bonds by the use of the dipole moment is examined for the case of hydrogen chloride. Using both the atomic orbital and the LCAO molecular orbital approximation, the ionic character of HCl is calculated.
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