Dependence of the multipole moments, static polarizabilities, and static hyperpolarizabilities of the hydrogen molecule on the H–H separation in the ground singlet state

2018 ◽  
Vol 149 (23) ◽  
pp. 234103 ◽  
Author(s):  
Evangelos Miliordos ◽  
Katharine L. C. Hunt
Keyword(s):  
Hydrogen Molecule ◽  
Singlet State ◽  
Multipole Moments ◽  
Ground Singlet State

scholarly journals Numerical Calculation of Energy Eigen-values of the Hydrogen Negative Ion in the 2p^2 Configuration by Using the Variational Method

2020 ◽  
Vol 24 (1) ◽  
pp. 30
Author(s):  
Yosef Robertus Utomo ◽  
Guntur Maruto ◽  
Agung Bambang Setio Utomo ◽  
Pekik Nurwantoro ◽  
Sholihun Sholihun
Keyword(s):  
Numerical Calculation ◽  
Variational Method ◽  
Trial Function ◽  
Hydrogen Molecule ◽  
Negative Ion ◽  
Multipole Moments ◽  
A Value ◽  
Eigen Value ◽  
Eigen Values ◽  
Electric Multipole Moments

Calculation of energy eigen value of hydrogen negative ion (H − ) in 2p^2 configuration using the method of variation functions has been done. A work on H − can lead to calculations of electric multipole moments of a hydrogen molecule. The trial function is a linear combination of 8 expansion terms each of which is related to the Chandrasekhar’s basis. This work produces a series of 7 energy eigen values which converges to a value of −0.2468 whereas the value of this convergence is expected to be −0.2523. This deviation from the expected value is mainly due to the elimination of interelectronic distance (u) coordinate. The values of the exponent parameters used in this work contribute also to this deviation. This variational method will be applied to the construction of some energy eigen functions of Hv2 .

Low-lying activated states of chloroiridium phthalocyanine aggregates in glassy solution at low temperatures

1988 ◽  
Vol 66 (1) ◽  
pp. 86-92 ◽  
Author(s):  
W.-H. Chen ◽  
K. E. Rieckhoff ◽  
E.-M. Voigt
Keyword(s):  
Singlet State ◽  
Torsional Oscillation ◽  
Zero Point ◽  
Triplet States ◽  
Excited Singlet ◽  
Glassy Solution ◽  
Ground Singlet State ◽  
Modes Of Vibration ◽  
State Formula ◽  
Singlet And Triplet States

Studies of phosphorescence intensities and lifetimes of two chloroiridium phthalocyanine aggregates in α-chloronaphthalene between 5 and 80 K have revealed the existence of low-lying activated states only a few tens of cm−1 above the zero-point vibration in both lowest singlet and triplet states. From the data, activation energies of intersystem crossings between the two multiplicities associated with these states have been obtained as follows: for crossing from the first excited singlet to the lowest triplet state, Ea = 42 ± 10 and 29 ± 10 cm−1, respectively, for the two aggregates; for crossing from the lowest triplet to the ground singlet state, [Formula: see text] and 23 ± 5 cm−1, respectively. These activated states are tentatively attributed to certain intermolecular modes of vibration in aggregates. Specifically, they fit the model of molecular torsional oscillation of two and three parallel-sheet arrangements. On the basis of these findings, we propose that the first Ea (or [Formula: see text]) is the fundamental librational frequency of the dimer and the second Ea (or [Formula: see text]) is that for the trimer.

A full dimensional potential for H2O2 (X1A) covering all dissociation channels

2017 ◽  
Vol 19 (2) ◽  
pp. 1378-1388 ◽  
Author(s):  
Daniela V. Coelho ◽  
João Brandão
Keyword(s):  
Potential Energy ◽  
Potential Energy Surface ◽  
Energy Surface ◽  
Singlet State ◽  
Ground Singlet State

A full dimensional potential energy surface for the H2O2 ground singlet state including all the dissociation channels.

Synthesis, molecular and electronic structure of a stacked half-sandwich dititanium complex incorporating a cyclic π-faced bridging ligand

RSC Advances ◽  
2016 ◽  
Vol 6 (96) ◽  
pp. 94149-94159
Author(s):  
Róbert Gyepes ◽  
Jiří Pinkas ◽  
Ivana Císařová ◽  
Jiří Kubišta ◽  
Michal Horáček ◽  
...  
Keyword(s):  
Electronic Structure ◽  
Singlet State ◽  
Bridging Ligand ◽  
Ground Singlet State ◽  
Half Sandwich ◽  
Molecular And Electronic Structure

The thermally robust ground singlet state complex [bis(η5-pentamethylcyclopentadienyltitanium)-μ-(η4:η4-1,2,4,5-tetrakis(trimethylsilyl)cyclohexa-1-4-diene-3,6-diyl)] (3) arises from thermolysis of Cp*TiMe3.

scholarly journals Флуктуирующая флуоресценция одиночных центров окраски в кристаллах фторида лития

2022 ◽  
Vol 130 (1) ◽  
pp. 138
Author(s):  
В.П. Дресвянский ◽  
С.А. Зилов ◽  
Е.Ф. Мартынович
Keyword(s):  
Fluorescence Microscopy ◽  
Triplet State ◽  
Fluorescence Intensity ◽  
Room Temperature ◽  
Singlet State ◽  
Rotational Diffusion ◽  
Translational Diffusion ◽  
Color Centers ◽  
Confocal Fluorescence ◽  
Ground Singlet State

Single F2 and F3+- color centers in the LiF crystal were studied by confocal fluorescence microscopy. The time dependences of their fluorescence intensity were analyzed and statistically processed. Our studies show that, the F3+- color center, being photoexcited, is able enter the triplet state, while in ground (singlet) state it changes orientation with a frequency of 1.5 – 2 Hz at room temperature, due to reorientational diffusion, unlike the F2- center, which is reoriented only being in the triplet state. This subtype of rotational diffusion of the center does not lead to its translational diffusion.

Multipole Moments of the Hydrogen Molecule

1975 ◽  
Vol 53 (19) ◽  
pp. 1781-1790 ◽  
Author(s):  
G. Karl ◽  
J. D. Poll ◽  
L. Wolniewicz
Keyword(s):  
Helium Atom ◽  
Internuclear Distance ◽  
Hydrogen Molecule ◽  
Hydrogen Gas ◽  
Multipole Moments ◽  
Vibrational States ◽  
Shielding Factor ◽  
Internuclear Distances ◽  
Variational Wave Functions ◽  
Variational Wave

For small internuclear distances, the quadrupole moment of the hydrogen molecule is quadratic in the internuclear distance, with a coefficient determined by the quadrupole shielding factor of the helium atom. Similarly the hexadecapole moment is quartic in the internuclear distance for small internuclear distances, with a coefficient which is determined by the properties of the helium atom. We give the results of a machine computation of the hexadecapole moment of the hydrogen molecule using up to 54 term variational wave functions and its matrix elements between rotational and vibrational states of the molecule. The intensity of the ΔJ = 4 induced spectrum of hydrogen gas is also discussed.

Two-photon excitation fluorescence microscopy in living systems

1993 ◽  
Vol 51 ◽  
pp. 154-155 ◽  
Author(s):  
David W. Piston
Keyword(s):  
Confocal Microscopy ◽  
Fluorescence Microscopy ◽  
Singlet State ◽  
Excited Electronic State ◽  
Input Power ◽  
Two Photon ◽  
Simultaneous Absorption ◽  
Photon Excitation ◽  
Very High ◽  
Two Photon Excitation

Two-photon excitation fluorescence microscopy provides attractive advantages over confocal microscopy for three-dimensionally resolved fluorescence imaging. Two-photon excitation arises from the simultaneous absorption of two photons in a single quantitized event whose probability is proportional to the square of the instantaneous intensity. For example, two red photons can cause the transition to an excited electronic state normally reached by absorption in the ultraviolet. In our fluorescence experiments, the final excited state is the same singlet state that is populated during a conventional fluorescence experiment. Thus, the fluorophore exhibits the same emission properties (e.g. wavelength shifts, environmental sensitivity) used in typical biological microscopy studies. In practice, two-photon excitation is made possible by the very high local instantaneous intensity provided by a combination of diffraction-limited focusing of a single laser beam in the microscope and the temporal concentration of 100 femtosecond pulses generated by a mode-locked laser. Resultant peak excitation intensities are 106 times greater than the CW intensities used in confocal microscopy, but the pulse duty cycle of 10−5 maintains the average input power on the order of 10 mW, only slightly greater than the power normally used in confocal microscopy.

The Gold Porphyrin First Excited Singlet State¶

2002 ◽  
Vol 76 (1) ◽  
pp. 47 ◽  
Author(s):  
Joakim Andréasson ◽  
Gerdenis Kodis ◽  
Su Lin ◽  
Ana L. Moore ◽  
Thomas A. Moore ◽  
...  
Keyword(s):  
Singlet State ◽  
Excited Singlet State ◽  
Excited Singlet
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