Band Width of the OH-stretching Vibration in Solid Alcohols

Nature ◽  
1967 ◽  
Vol 215 (5105) ◽  
pp. 1071-1072 ◽  
Author(s):  
R. J. JAKOBSEN ◽  
Y. MIKAWA ◽  
J. W. BRASCH
1968 ◽  
Vol 46 (11) ◽  
pp. 1831-1833 ◽  
Author(s):  
Gordon Leary

The infrared frequencies and apparent half band widths of the O—H stretching band of a series of 2,6-dimethyl-4-substituted phenols and a series of 2,6-dichloro-4-substituted phenols have been measured in carbon tetrachloride solution. The slopes of the Hammett plots for the frequencies and half band widths of both these series are compared with those calculated from published data for 2,6-di-t-butyl-4-substituted phenols and 3- or 4-substituted phenols. Significant differences are found in ρ obtained from the frequency data for the four series. The 2,6-dimethyl-4-substituted phenols, unlike the unhindered phenols, are found to parallel the 2,6-di-t-butyl-4-substituted phenols in having a negative ρ for the frequency data and a negative ρ for the half band width correlation. It is concluded that the negative ρ from the half band widths of 2,6-di-t-butyl-4-substituted phenols is primarily a result of electronic rather than steric factors.


1983 ◽  
Vol 48 (2) ◽  
pp. 586-595 ◽  
Author(s):  
Alexander Perjéssy ◽  
Pavol Hrnčiar ◽  
Ján Šraga

The wave numbers of the fundamental C=O and C=C stretching vibrations, as well as that of the first overtone of C=O stretching vibration of 2-(3-, and 4-substituted phenylmethylene)-1,3-cycloheptanediones and 1,3-cycloheptanedione were measured in tetrachloromethane and chloroform. The spectral data were correlated with σ+ constants of substituents attached to phenyl group and with wave number shifts of the C=O stretching vibration of substituted acetophenones. The slope of the linear dependence ν vs ν+ of the C=C stretching vibration of the ethylenic group was found to be more than two times higher than that of the analogous correlation of the C=O stretching vibration. Positive values of anharmonicity for asymmetric C=O stretching vibration can be considered as an evidence of the vibrational coupling in a cyclic 1,3-dicarbonyl system similarly, as with derivatives of 1,3-indanedione. The relationship between the wave numbers of the symmetric and asymmetric C=O stretching vibrations indicates that the effect of structure upon both vibrations is symmetric. The vibrational coupling in 1,3-cycloheptanediones and the application of Seth-Paul-Van-Duyse equation is discussed in relation to analogous results obtained for other cyclic 1,3-dicarbonyl compounds.


Energies ◽  
2021 ◽  
Vol 14 (11) ◽  
pp. 3011
Author(s):  
Paweł Latosiński ◽  
Andrzej Bartoszewicz

Sliding mode control strategies are well known for ensuring robustness of the system with respect to disturbance and model uncertainties. For continuous-time plants, they achieve this property by confining the system state to a particular hyperplane in the state space. Contrary to this, discrete-time sliding mode control (DSMC) strategies only drive the system representative point to a certain vicinity of that hyperplane. In established literature on DSMC, the width of this vicinity has always been strictly greater than zero in the presence of uncertainties. Thus, ideal sliding motion was considered impossible for discrete-time systems. In this paper, a new approach to DSMC design is presented with the aim of driving the system representative point exactly onto the sliding hyperplane even in the presence of uncertainties. As a result, the quasi-sliding mode band width is effectively reduced to zero and ideal discrete-time sliding motion is ensured. This is achieved with the proper selection of the sliding hyperplane, using the unique properties of relative degree two sliding variables. It is further demonstrated that, even in cases where selection of a relative degree two sliding variable is impossible, one can use the proposed technique to significantly reduce the quasi-sliding mode band width.


2021 ◽  
Vol 11 (13) ◽  
pp. 5839
Author(s):  
Jens Ducrée

Enhancing the degree of functional multiplexing while assuring operational reliability and manufacturability at competitive costs are crucial ingredients for enabling comprehensive sample-to-answer automation, e.g., for use in common, decentralized “Point-of-Care” or “Point-of-Use” scenarios. This paper demonstrates a model-based “digital twin” approach, which efficiently supports the algorithmic design optimization of exemplary centrifugo-pneumatic (CP) dissolvable-film (DF) siphon valves toward larger-scale integration (LSI) of well-established “Lab-on-a-Disc” (LoaD) systems. Obviously, the spatial footprint of the valves and their upstream laboratory unit operations (LUOs) have to fit, at a given radial position prescribed by its occurrence in the assay protocol, into the locally accessible disc space. At the same time, the retention rate of a rotationally actuated CP-DF siphon valve and, most challengingly, its band width related to unavoidable tolerances of experimental input parameters need to slot into a defined interval of the practically allowed frequency envelope. To accomplish particular design goals, a set of parametrized metrics is defined, which are to be met within their practical boundaries while (numerically) minimizing the band width in the frequency domain. While each LSI scenario needs to be addressed individually on the basis of the digital twin, a suite of qualitative design rules and instructive showcases structures are presented.


1995 ◽  
Vol 50 (7) ◽  
pp. 1025-1029 ◽  
Author(s):  
J. Baurmeister ◽  
A. Franken ◽  
W. Preetz

By reaction of [N(C4H9 )4]2 [B6H6] with iodomethyl-trimethylsilane in acetonitrile a solution with trimethylsilylm ethyl-closo-hexaborate(1-)anions, [B6H6 (CH2Si(CH3)3)]-, is formed. The crystal structure of [P(C6H5 )4][B6H6(CH2Si(CH3)3)] has been determined by single crystal X-ray diffraction analysis; monoclinic, space group P21/n with a = 16.140(2), b = 11.646(8), c = 16.731(3) Å, β 109.664(11)°. The 11B NMR spectrum reveals features of a mono hetero substituted octahedral B6 cage. The 13C NMR spectrum exhibits a quartet at +0.18 ppm with 1J(C,H) = 118 Hz for the three methyl groups and a weak multiplet at -0.65 ppm for the methylene bridge due to quadrupole coupling with the boron atoms. In the 29Si NMR spectrum a decet at +2.25 ppm with 2J(C,H ) = 6.9 Hz is observed. The B -C stretching vibration is observed at 1155 cm-1 in the IR and Raman spectrum.


1985 ◽  
Vol 260 (23) ◽  
pp. 12665-12669
Author(s):  
E A Kerr ◽  
N T Yu ◽  
K Gersonde ◽  
D W Parish ◽  
K M Smith
Keyword(s):  

2005 ◽  
Vol 04 (01) ◽  
pp. 333-344 ◽  
Author(s):  
HIROTOSHI MORI ◽  
EISAKU MIYOSHI

A new inorganic molecule [ Co(Hbim) ( C 6 H 4 O 2)( NH 3)2]2 that can be used as a new optically durable molecular switch was theoretically designed in the framework of density functional theory. Three stable minima, belonging to 1 A g , 5 A 1, and 9 A g states, were found in the complex. Theoretically predicted infrared spectra of the complexes showed that a strong peak of NH stretching vibration is observed at 2690, 2120, and 2770 cm -1 in the 1 A g , 5 A 1, and 9 A g states, respectively. The apparent red shift of the NH stretching vibration band in the 5 A 1 state make it possible to distinguish the electronic state from others (1 A g and 9 A g ). This means that the complex can be used as a molecular level switch whose memory can be stably read by IR light without any photoreaction process; namely, without memory degradation.


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