Measurement of absolute transition dipole moment functions of the 3 Π1→1(X)Σ1+ and 3 Π1→2(A)Σ1+ transitions in NaK using Autler–Townes spectroscopy and calibrated fluorescence

2008 ◽  
Vol 129 (15) ◽  
pp. 154303 ◽  
Author(s):  
S. J. Sweeney ◽  
E. H. Ahmed ◽  
P. Qi ◽  
T. Kirova ◽  
A. M. Lyyra ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Moment Functions ◽  
Absolute Transition

Lifetimes and transition dipole moment functions of NaK low lying singlet states: Empirical and ab initio approach

1998 ◽  
Vol 109 (16) ◽  
pp. 6725-6735 ◽  
Author(s):  
M. Tamanis ◽  
M. Auzinsh ◽  
I. Klincare ◽  
O. Nikolayeva ◽  
R. Ferber ◽  
...  
Keyword(s):  
Dipole Moment ◽  
Ab Initio ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Singlet States ◽  
Moment Functions ◽  
Ab Initio Approach

Electronic transition dipole moment functions for NaK

1985 ◽  
Vol 110 (2) ◽  
pp. 242-255 ◽  
Author(s):  
Lyn B. Ratcliff ◽  
Daniel D. Konowalow ◽  
Walter J. Stevens
Keyword(s):  
Dipole Moment ◽  
Electronic Transition ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Moment Functions

The iodine E0g+–B0u+ and D0u+–X0g+ transition dipole moment functions

1999 ◽  
Vol 242 (2) ◽  
pp. 253-261 ◽  
Author(s):  
M.E. Akopyan ◽  
N.K. Bibinov ◽  
D.B. Kokh ◽  
A.M. Pravilov ◽  
M.B. Stepanov
Keyword(s):  
Dipole Moment ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Moment Functions

Theoretical investigation of the electronic structure and spectra of sulfur monoiodide cation, SI+

2020 ◽  
Vol 98 (12) ◽  
pp. 806-813
Author(s):  
Gabriel Fernando de Melo ◽  
Fernando R. Ornellas
Keyword(s):  
Dipole Moment ◽  
Transition Probabilities ◽  
Dipole Moments ◽  
Transition Dipole Moment ◽  
Theoretical Treatment ◽  
Transition Dipole ◽  
Dissociation Energies ◽  
Moment Functions ◽  
High Level ◽  
First Time

A manifold of singlet, triplet, and quintet electronic states of the sulfur monoiodide cation (SI+) correlating with the two lowest-lying dissociation channels is characterized theoretically at a high level of theoretical treatment (SA-CASSCF/MRCI+Q/aug-cc-pV5Z) for the first time. Potential energy curves, also including the effect of spin-orbit couplings, are constructed and the associated spectroscopic parameters and dissociation energies determined. As to the molecular polarity, we computed the dipole moment as a function of the internuclear distance and the associated vibrationally averaged dipole moments. Transition dipole moment functions were also constructed, and transition probabilities, as expressed by the Einstein coefficients for spontaneous emission, were evaluated for selected pairs of states that we identify as more easily accessible to experimental investigation. An analysis of the bonding in this system is also presented. Together with previous studies on neutral and cationic sulfur-monohalides, one has a comprehensive view of this series of molecules.

Potential energy and transition dipole moment functions of

2006 ◽  
Vol 104 (13-14) ◽  
pp. 1999-2005 ◽  
Author(s):  
T. [Sbreve]edivcová ◽  
V. [Sbreve]pirko
Keyword(s):  
Dipole Moment ◽  
Potential Energy ◽  
Transition Dipole Moment ◽  
Transition Dipole ◽  
Moment Functions

Theoretical studies on the one- and two-photon absorption of tetrabenzoporphyrins and phthalocyanines

2004 ◽  
Vol 82 (1) ◽  
pp. 19-26 ◽  
Author(s):  
Xin Zhou ◽  
Ai-Min Ren ◽  
Ji-Kang Feng ◽  
Xiao-Juan Liu
Keyword(s):  
Dipole Moment ◽  
Cross Sections ◽  
Density Functional ◽  
Transition Dipole Moment ◽  
Photon Absorption ◽  
Transition Dipole ◽  
Two Photon Absorption ◽  
Two Photon ◽  
Order Of Magnitude ◽  
The One

The one-photon absorption (OPA) properties of tetrabenzoporphyrins (TBPs) and phthalocyanines (Pcs) were studied using the semiempirical ZINDO method and time-dependent density functional theory (TDDFT), respectively. The compared results confirmed that the semiempirical ZINDO method was reasonably reliable when calculating the OPA of tetrabenzoporphyrins and phthalocyanines. On the basis of the OPA properties obtained from the ZINDO method, two-photon absorption (TPA) properties of two series of molecules were investigated, using ZINDO and sum-over-states (SOS) methods. The results showed that the TPA cross-sections of all molecules were in the range of 220.6 × 10–50 – 345.9 × 10–50 cm4·s·photon–1, which were in the same order of magnitude as the values reported in the literature. The relatively larger δ(ω) value for Pcs with respect to that for corresponding TBPs originates from larger intramolecular charge transfer, which can be characterized by the difference of dipole moment between S0 and S1 and the transition dipole moment between S1 and S5.Key words: two-photon absorption, ZINDO, sum-over-states, tetrabenzoporphyrin, phthalocyanines.

Sign in / Sign up

Export Citation Format

Share Document