Interlayer proton transfer in brucite under pressure by polarized IR spectroscopy to 5.3 GPa

1998 ◽  
Vol 25 (3) ◽  
pp. 197-202 ◽  
Author(s):  
Keiji Shinoda ◽  
Nobuyuki Aikawa
Keyword(s):  
Ir Spectroscopy ◽  
Proton Transfer ◽  
Polarized Ir Spectroscopy

In-depth NMR and IR study of the proton transfer equilibrium between [{(MeC(CH2PPh2)3}Ru(CO)H2] and hexafluoroisopropanol

2001 ◽  
Vol 79 (5-6) ◽  
pp. 479-489 ◽  
Author(s):  
Vladimir I Bakhmutov ◽  
Ekaterina V Bakhmutova ◽  
Natalia V Belkova ◽  
Claudio Bianchini ◽  
Lina M Epstein ◽  
...  
Keyword(s):  
Nmr Spectroscopy ◽  
Ir Spectroscopy ◽  
Proton Transfer ◽  
Proton Transfer Reaction ◽  
Proton Donor ◽  
Strong Hydrogen Bond ◽  
Nmr Study ◽  
Ir Study

The (carbonyl)dihydride complex [(triphos)Ru(CO)H2] (2) has been synthesized by reaction of the ruthenate [(triphos)RuH3]K (triphos = MeC(CH2PPh2)3) with ethanol saturated with CO. A single crystal X-ray analysis and IR and NMR experiments have shown that 2 adopts in both the solid state and solution an octahedral coordination geometry with a facial triphos ligand, two cis terminal hydrides, and a terminal carbonyl. The reaction of hexafluoro-2-propanol (HFIP) with 2 has been studied in CH2Cl2 solution by IR and NMR spectroscopy. The proton donor interacts with a terminal hydride of 2 forming a rather strong hydrogen bond. The resulting H-bonded adduct [{(triphos)Ru(CO)(H)H}···{HOCH(CF3)2}] (2a) has fully been characterized by in situ NMR and IR techniques. Compound 2a is in equilibrium with the nonclassical η2-H2 complex [(triphos)Ru(CO)H(H2)]+ (2b), which can independently be prepared by protonation of 2 with a strong protic acid at low temperature. Unequivocal characterization of the dihydrogen complex (2b) has been achieved by a multifaceted spectroscopic investigation (Tobs1min = 0.005 s (200 MHz), JH,D [Formula: see text] 30 Hz, DQCC = 78.3 kHz). A combined IR and NMR study of the proton transfer reaction involving 2 and HFIP in CH2Cl2 to give, first, the H-bonded adduct (2a) and, then, the dihydrogen complex (2b) has demonstrated that all these species are in equilibrium in the temperature range from 190 to 260 K. The thermodynamic parameters for the formation of 2a have independently been determined by NMR and IR methods, while those for the formation of 2b have been obtained by IR spectroscopy. An energetic profile for the reaction sequence 2 [Formula: see text] 2a [Formula: see text] 2b is proposed and discussed.Key words: hydrides, hydrogen bonding, ruthenium, IR spectroscopy, NMR spectroscopy.

Stretched PEO–LiCF3SO3 films: Polarized IR spectroscopy and X-ray diffraction

2007 ◽  
Vol 53 (4) ◽  
pp. 1548-1555 ◽  
Author(s):  
Christopher M. Burba ◽  
Roger Frech ◽  
Brian Grady
Keyword(s):  
Ir Spectroscopy ◽  
X Ray Diffraction ◽  
X Ray ◽  
Polarized Ir Spectroscopy

scholarly journals Novel organic material with potential NLO application - electronic and spectroscopic properties

2008 ◽  
Vol 6 (4) ◽  
pp. 592-599 ◽  
Author(s):  
B.B. Koleva ◽  
T. Kolev ◽  
R. Nikolova ◽  
Y. Zagraniarsky ◽  
M. Spiteller
Keyword(s):  
Optical Properties ◽  
Electronic Structure ◽  
Ir Spectroscopy ◽  
Ab Initio ◽  
Organic Material ◽  
Spectroscopic Properties ◽  
Thermal Methods ◽  
Polarized Ir Spectroscopy ◽  
Cosy Nmr ◽  
Ab Initio And Dft

AbstractNovel dicyanoisophorone derivative, (E)-2-(3-(4-aminostyryl)-5,5-dimethylcyclohex-2-enylidene)malononitrile, is synthesized and its structure elucidated by means of conventional and linear polarized IR-spectroscopy of oriented colloids in nematic host, 1H, 13C, 1H, 1H-COSY NMR, HPLC tandem ESI MS-MS spectrometry, UV-VIS and thermal methods. Ab initio and DFT level of theory are used to theoretically obtain the electronic structure and optical properties, both in ground and exited state, of the compound.

Ground State Proton Transfer in Phenol–(NH3)n (n ≤ 11) Clusters Studied by Mid-IR Spectroscopy in 3–10 μm Range

2013 ◽  
Vol 117 (7) ◽  
pp. 1522-1530 ◽  
Author(s):  
Mitsuhiko Miyazaki ◽  
Ayako Kawanishi ◽  
Iben Nielsen ◽  
Ivan Alata ◽  
Shun-ichi Ishiuchi ◽  
...  
Keyword(s):  
Ir Spectroscopy ◽  
Proton Transfer ◽  
Ground State
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