Mechanism of protonation induced changes in Raman spectra of a trisheteroleptic ruthenium complex revealed by DFT calculations

RSC Advances ◽  
2013 ◽  
Vol 3 (16) ◽  
pp. 5597 ◽  
Author(s):  
Maria Wächtler ◽  
Maximilian Bräutigam ◽  
Jürgen Popp ◽  
Benjamin Dietzek
Author(s):  
N. Sundaraganesan ◽  
S. Kalaichelvan ◽  
C. Meganathan ◽  
B. Dominic Joshua ◽  
J. Cornard

2013 ◽  
Vol 1037 ◽  
pp. 294-300 ◽  
Author(s):  
Henning Alfred Höppe ◽  
Karolina Kazmierczak ◽  
Elida Romano ◽  
Silvia Antonia Brandán

1999 ◽  
Vol 311 (6) ◽  
pp. 479-484 ◽  
Author(s):  
Christa Kneip ◽  
Peter Hildebrandt ◽  
Károly Németh ◽  
Franz Mark ◽  
Kurt Schaffner

2018 ◽  
Vol 49 (4) ◽  
pp. 668-683 ◽  
Author(s):  
Marco Pagliai ◽  
Iacopo Osticioli ◽  
Austin Nevin ◽  
Salvatore Siano ◽  
Gianni Cardini ◽  
...  

2020 ◽  
Vol 1199 ◽  
pp. 126964 ◽  
Author(s):  
Maximiliano A. Iramain ◽  
María V. Castillo ◽  
Lilian Davies ◽  
María E. Manzur ◽  
Silvia Antonia Brandán

2020 ◽  
Vol 22 (36) ◽  
pp. 20612-20617
Author(s):  
Francesco S. Gentile ◽  
William C. Mackrodt ◽  
Neil L. Allan ◽  
Roberto Dovesi

DFT calculations of the Li substitutional defect in diamond indicate that the quartet spin state is lower in energy than the doublet, with unprecedented differences in the frequency and intensity in the Raman spectra of the two states.


2002 ◽  
Vol 106 (9) ◽  
pp. 1815-1823 ◽  
Author(s):  
Vincenzo Schettino ◽  
Marco Pagliai ◽  
Gianni Cardini

2001 ◽  
Vol 664 ◽  
Author(s):  
L.-F. Arsenault ◽  
S. Lebiba ◽  
E. Sacher ◽  
A. Yelon

ABSTRACTWe have investigated the changes, produced by light-soaking, in both the IR and Raman responses of the Si-Hn stretching peaks in the 2000-2100 cm−1 range. Our observations of the IR response are in qualitative agreement with those of Kong and co-workers [1]: that is, short-term light soaking produces an increase in the intensity of the signal and a simultaneous shift to lower frequency. In contrast, short-term light soaking decreases the total intensity of the Raman signal in the 2000-2100 cm−1 range, when normalized to the TO phonon peak at about 480 cm−1. In both cases, these modifications are reversed on annealing at 200° C. We suggest that these changes are attributable to alterations in the environments of the Si-Hn bonds, with the resultant transfer of intensity between IR and Raman matrix elements. Details of the evolution of the components of the Raman spectrum in the 2000-2100 cm−1 range are presented, and compared with IR changes in the same range.


Sign in / Sign up

Export Citation Format

Share Document