Vibrational spectra of 5,6-dihydrouracil. An experimental matrix isolation, solid state and theoretical studyElectronic supplementary information available: geometrical parameters and theoretical results (Tables 1S–3S). See http://www.rsc.org/suppdata/cp/b1/b108702a/

2002 ◽  
Author(s):  
Leszek Lapinski ◽  
Maciej J. Nowak ◽  
Dariusz C. Bieńko ◽  
Danuta Michalska
Keyword(s):  
Solid State ◽  
Vibrational Spectra ◽  
Matrix Isolation ◽  
Supplementary Information ◽  
Geometrical Parameters ◽  
Theoretical Results

scholarly journals Low temperature matrix-isolation and solid state vibrational spectra of tetrazole

2001 ◽  
Vol 3 (17) ◽  
pp. 3541-3547 ◽  
Author(s):  
Susana C. S. Bugalho ◽  
Ermelinda M. S. Maçôas ◽  
M. Lurdes S. Cristiano ◽  
Rui Fausto
Keyword(s):  
Solid State ◽  
Low Temperature ◽  
Vibrational Spectra ◽  
Matrix Isolation ◽  
Temperature Matrix

Syntheses and vibrational spectra of some tris(alkanethiolato)mercurate(II) complexes, and crystal structure of the Hexakis(methanethiolato)dimercurate(II) dianion

1984 ◽  
Vol 37 (8) ◽  
pp. 1607 ◽  
Author(s):  
GA Bowmaker ◽  
IG Dance ◽  
BC Dobson ◽  
DA Rogers
Keyword(s):  
Crystal Structure ◽  
Solid State ◽  
Vibrational Spectra ◽  
Crystal Data ◽  
Tetrahedral Geometry ◽  
Space Group ◽  
Spectroscopic Evidence ◽  
Distorted Tetrahedral Geometry ◽  
Complex Anions

The complexes [cation] [Hg(SR)3](R = Me, cation = Et4N+; R = But, cation = Et4N+, Bu4N+, [N(Ph3P)2]+) have been prepared. The crystal structure of the methanethiolate complex shows that it contains centrosymmetric dinuclear anions [(MeS)2Hg(�-SMe)2Hg(SMe)2]2- with distorted tetrahedral geometry about the mercury atoms. Vibrational spectroscopic evidence suggests that this complex dissociates on dissolution in ethanol to give mononuclear [Hg(SMe)3]- species. The ButS- complexes appear to exist as mononuclear [Hg(SBut)3]- species both in the solid state and in solution. The metal-sulfur stretching frequencies are assigned for all of the complexes studied, and the vibrational spectra are discussed in terms of the structures of the complex anions involved. Crystal data for [(C2H5)4N]2Hg2(SCH3)6 : a 8.656(5), b gS130(6), c 12.368(8) �; α 102.16(4), β 105.51(4), γ 105.29(4)�; space group P1, Z 1, R 0.034, Rw 0.042.

Vibrational Spectra and Structure of CH3Cl:H2O, CH3Cl:HDO, and CH3Cl:D2O Complexes. IR Matrix Isolation and ab initio Calculations

2005 ◽  
Vol 109 (45) ◽  
pp. 10273-10279 ◽  
Author(s):  
Nadia Dozova ◽  
Lahouari Krim ◽  
M. Esmaïl Alikhani ◽  
Nelly Lacome
Keyword(s):  
Ab Initio Calculations ◽  
Ab Initio ◽  
Vibrational Spectra ◽  
Matrix Isolation
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