Discrepancies in ICC calculations for low energy transitions

1973 ◽  
Vol 259 (1) ◽  
pp. 9-13 ◽  
Author(s):  
B. Martin ◽  
R. Schulé
Keyword(s):  
Low Energy ◽  
Energy Transitions

Neutron incoherent scattering study of NH3 low-energy transitions in hexammine compounds II

1997 ◽  
Vol 233 (2-3) ◽  
pp. 179-186
Author(s):  
J. Mayer ◽  
J.A. Janik ◽  
J. Krawczyka ◽  
K. Otnes ◽  
O. Steinsvoll ◽  
...  
Keyword(s):  
Incoherent Scattering ◽  
Low Energy ◽  
Energy Transitions ◽  
Scattering Study

A study of the low-energy transitions arising from the prompt de-excitation of fission fragments

1970 ◽  
Vol 141 (3) ◽  
pp. 449-480 ◽  
Author(s):  
R.L. Watson ◽  
J.B. Wilhelmy ◽  
R.C. Jared ◽  
C. Rugge ◽  
H.R. Bowman ◽  
...  
Keyword(s):  
Low Energy ◽  
Fission Fragments ◽  
Energy Transitions

Properties of low-energy transitions in Dy161

1965 ◽  
Vol 67 (2) ◽  
pp. 428-432 ◽  
Author(s):  
R.T. Brockmeier ◽  
John D. Rogers
Keyword(s):  
Low Energy ◽  
Energy Transitions

Low energy transitions in the decay of155Tb

1975 ◽  
Vol 1 (1) ◽  
pp. 113-119 ◽  
Author(s):  
P Christmas ◽  
P Cross
Keyword(s):  
Low Energy ◽  
Energy Transitions

Organometallic Complexes for Non-Linear Optics. 59. Syntheses and Optical Properties of Some Octupolar (N-Heterocyclic Carbene)gold Complexes

2017 ◽  
Vol 70 (1) ◽  
pp. 79 ◽  
Author(s):  
Gang Liu ◽  
Cristóbal Quintana ◽  
Genmiao Wang ◽  
Mahesh S. Kodikara ◽  
Jun Du ◽  
...  
Keyword(s):  
Optical Properties ◽  
Rayleigh Scattering ◽  
Second Harmonic ◽  
Organometallic Complexes ◽  
Low Energy ◽  
Oscillator Strengths ◽  
Linear Optics ◽  
Energy Bands ◽  
Nanosecond Pulses ◽  
Energy Transitions

The syntheses of octupolar alkynes 1,3,5-{4-(4-HC≡CC6H4-1-C≡C)-3,5-Et2C6H2-1-C≡C}3C6H3 (4) and 1,3,5-{4-(4-HC≡CC6H4-1-C≡C-4-C6H4-1-C≡C)-3,5-Et2C6H2-1-C≡C}3C6H3 (6), diphenylamino-substituted 1,3,5-(4-Ph2NC6H4-1-C≡C)3C6H3 (7), 1,3,5-(4-Ph2NC6H4-1-C≡C-4-C6H4-1-C≡C)3C6H3 (8), 1,3,5-{4-(4-Ph2NC6H4-1-C≡C-4-C6H4-1-C≡C)-3,5-Et2C6H2-1-C≡C}3C6H3 (9), and 1,3,5-{4-(4-Ph2NC6H4-1-C≡C-4-C6H4-1-C≡C-4-C6H4-1-C≡C)-3,5-Et2C6H2-1-C≡C}3C6H3 (10), and (N-heterocyclic carbene)gold-appended 1,3,5-{[(NHC-iPr)Au]C≡C}3C6H3 (11), 1,3,5-{[(NHC-iPr)Au]C≡C-4-C6H4-1-C≡C}3C6H3 (12), 1,3,5-{4-([(NHC-iPr)Au]C≡C-4-C6H4-1-C≡C)-3,5-Et2C6H2-1-C≡C}3C6H3 (13), and 1,3,5-{4-([(NHC-iPr)Au]C≡C-4-C6H4-1-C≡C-4-C6H4-1-C≡C)-3,5-Et2C6H2-1-C≡C}3C6H3 (14) [NHC-iPr = κC-cyclo-CN(2,6-C6H3iPr2)CH=CHN(2,6-C6H3iPr2)] are reported. The low-energy bands in the linear optical absorption spectra of all three sets of compounds are red-shifted and increase in intensity upon π-delocalizable ‘arm’ lengthening. The diphenylamino- and (NHC-iPr)gold-terminated compounds do not exhibit measurable second-harmonic generation as assessed by hyper-Rayleigh scattering at 1064 nm using nanosecond pulses. Computational studies have been employed to rationalize the optical properties of the new compounds. Calculations on 7–10 reveal that the lowest-energy transitions with large oscillator strengths are predominantly [Ph2NC6H4] (π) → [arms + core] (π*) in character, whereas calculations on 11–14 suggest that the low-energy transitions relate to the transfer of electron density from the Au-alkynyl core group to the terminal NHC groups.

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