Journal ArticleDOI
Microwave spectra of the six mono-13C-substituted phenols and of some monodeuterated species of phenol. Complete substitution structure and absolute dipole moment
TLDR
The microwave spectra of the six mono-13 C-phenol species have been investigated and a complete substitution structure ( r s ) is reported as discussed by the authors, where the r s bond lengths (A) are: r CC 1.391-1.395, average 1.086.About:
This article is published in Journal of Molecular Structure.The article was published on 1979-01-01. It has received 177 citations till now. The article focuses on the topics: Dipole & Bond length.read more
Citations
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A new criterion for the determination of molecular structures from ground state rotational constants
TL;DR: In this article, it was shown that the effects of zero point vibrations are such that the coordinates obtained by substitution from the ground state moments of inertia I0 are systematically less than r0.
Journal ArticleDOI
Interrelation between H-bond and Pi-electron delocalization.
TL;DR: H-bond plays a double role in biological systems: on one hand, as a relatively strong directional interaction, it leads to relatively stable supramolecular structures, and on the other hand, because of dynamic features of the proton, it is an active site for initiation of chemical reactions.
Journal ArticleDOI
High resolution uv spectroscopy of phenol and the hydrogen bonded phenol/water cluster
TL;DR: In this article, the S1←S0 000 transitions of phenol and the hydrogen bonded phenol(H2O)1 cluster have been studied by high resolution fluorescence excitation spectroscopy.
Journal ArticleDOI
Orientation and absolute coverage of benzene, aniline, and phenol on Ag(110) determined by NEXAFS and XPS
TL;DR: In this article, the binding energies of benzene, aniline, and phenol were measured with near-edge X-ray absorption fine structure (NEXAFS) and x-ray photoelectron spectroscopy (XPS).
Journal ArticleDOI
Molecular Geometries and Vibrational Spectra of Phenol, Benzaldehyde, and Salicylaldehyde: Experimental versus Quantum Chemical Data
TL;DR: Geometric and vibrational spectroscopic data (rotational constants, bond distances and angles, vibrational frequencies, IR intensities, and OH/OD isotope effects) of phenol, benzaldehyde, and salicylaldehyde as calculated at various levels of theory (HF/6-31G(d,p), B3P86, MP2, B3LP, MP6, MP3, MP4, MP5, MP7, MP8, MP9, MP10, MP11, MP12, MP14, MP15,
References
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Journal ArticleDOI
Determination of Molecular Structure from Microwave Spectroscopic Data
TL;DR: In this article, a method for determining the position of an atom in a molecule from spectroscopic measurements on two isotopic species of the molecule is described, and explicit expressions are derived for linear, symmetric top, planar, and nonplanar asymmetric top molecules.
Journal ArticleDOI
The symmetry groups of non-rigid molecules
TL;DR: In this article, the concept of molecular symmetry is extended to molecules such as ethane and hydrazine, which can pass from one conformation to another, and examples are given to illustrate the use of this concept in determining the statistical weights of individual levels and selection rules for electric dipole transitions between them.
Journal ArticleDOI
Determination of Molecular Structures from Ground State Rotational Constants
TL;DR: In this article, it was shown that the effects of zero point vibrations are such that the coordinates obtained by substitution from the ground state moments of inertia I0 are systematically less than r0.
A new criterion for the determination of molecular structures from ground state rotational constants
TL;DR: In this article, it was shown that the effects of zero point vibrations are such that the coordinates obtained by substitution from the ground state moments of inertia I0 are systematically less than r0.
Journal ArticleDOI
Electric Dipole Moment of Carbonyl Sulfide
TL;DR: In this paper, the electric dipole moment of OCS has been determined by measuring pure Stark transitions with molecular-beam electric resonance methods and the value obtained is 0.71521 ± 0.00020 D.