Vibrational spectra of La@C60 and Ce@C60 endohedral fullerenes: Influence of Spin State Multiplicity

2021 ◽  
pp. 119593
Author(s):  
S. Civiš ◽  
A.V. Krisilov ◽  
M. Ferus ◽  
I.V. Nechaev ◽  
P. Kubelík ◽  
...  
Keyword(s):  
Spin State ◽  
Vibrational Spectra ◽  
Endohedral Fullerenes ◽  
State Multiplicity

scholarly journals Спин-зависимые колебательные спектры эндоэдрального металлофуллерена Gd@C-=SUB=-60-=/SUB=-

2019 ◽  
Vol 127 (11) ◽  
pp. 752
Author(s):  
А.В. Крисилов ◽  
И.В. Нечаев ◽  
В.Е. Чернов ◽  
Б.А. Зон
Keyword(s):  
Ir Spectra ◽  
Spin State ◽  
Vibrational Spectra ◽  
Ir Spectrum ◽  
Quantum Chemical ◽  
Spin States ◽  
Molecular Symmetry ◽  
Spin Dependence ◽  
Quantum Informatics ◽  
State Changes

We perform quantum chemical calculations of structures and IR spectra for endofullerene Gd@C60 in different spin states. It was found that the IR spectrum of endofullerenes Gd@C60 contains many lines in the range of 10-1540 cm−1. The frequencies and intensities of the IR lines of Gd@C60 depend on the spin state and molecular symmetry of the endofullerene. The frequencies of the coupled “metal-cage’’ vibrations lie in the range of 10¬–160 cm−1 and change significantly when the spin state changes. The spin dependence of the vibrational spectra opens up opportunities for monitoring the spin state of endofullerene by measuring the IR line frequencies, which is important for nanoelectronics and quantum Informatics

Vibrational spectra and proton acceptor ability of 2,2-biphenyldiamine

1993 ◽  
Vol 90 ◽  
pp. 1667-1683 ◽  
Author(s):  
K Platteborze ◽  
T Zeegers-Huyskens
Keyword(s):  
Vibrational Spectra ◽  
Proton Acceptor

CHARACTERIZATION AND VIBRATIONAL SPECTRA OF THE VITREOUS DOMAIN EXISTING IN THE TERNARY DIAGRAM Li2O-CdO-P2O5

1982 ◽  
Vol 43 (C9) ◽  
pp. C9-359-C9-362
Author(s):  
B. Elouadi ◽  
M. Ouchetto ◽  
Ch. Garrigou-Lagrange
Keyword(s):  
Vibrational Spectra ◽  
Ternary Diagram

PEIERLS INSTABILITY AND VIBRATIONAL SPECTRA OF POLYACETYLENE

1983 ◽  
Vol 44 (C3) ◽  
pp. C3-511-C3-511
Author(s):  
A. A. Ovchinnikov ◽  
A. E. Belinskii ◽  
I. A. Misurkin ◽  
I. I. Ukrainskii
Keyword(s):  
Vibrational Spectra ◽  
Peierls Instability

VIBRATIONAL SPECTRA OF SOLID AND LIQUID SULFUR

1981 ◽  
Vol 42 (C6) ◽  
pp. C6-557-C6-559
Author(s):  
Y. Sasaki ◽  
Y. Nishina
Keyword(s):  
Vibrational Spectra ◽  
Liquid Sulfur

A RE-CORRELATION OF THE VIBRATIONAL SPECTRA AND CRYSTALLOGRAPHIC DATA FOR THE VARIOUS ICE POLYMORPHS

1987 ◽  
Vol 48 (C1) ◽  
pp. C1-37-C1-43 ◽  
Author(s):  
B. MINČEVA-ŠUKAROVA ◽  
G. E. SLARK ◽  
W. F. SHERMAN ◽  
G. R. WILKINSON
Keyword(s):  
Vibrational Spectra ◽  
Crystallographic Data
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