On Some Theoretical Aspects of the 1-Type Doubling Constant qe: Application to XYZ (C∞V) Type Molecules

1974 ◽  
Vol 29 (12) ◽  
pp. 1782-1786
Author(s):  
N. Mohan ◽  
A. Müller

The relationship between the 1-type doubling constant qe and the centrifugal distortion constant De and the range of real values of qe for XYZ (C∞v) type molecules, is derived in detail. The experimental value of qe for many molecules is found to be in the neighbourhood of its minimum. The usefulness of qe in fixing a unique and accurate force field for XYZ (C∞v)type molecules is also discussed. A brief discussion of the nature of the errors arising due to the use of Dv , BV and υi in the calculation (for qe) is presented. The study of the mass effect on qe is also reported.

1994 ◽  
Vol 72 (11-12) ◽  
pp. 1043-1050 ◽  
Author(s):  
Masaharu Fujitake ◽  
Eizi Hirota

The rotational spectrum of the ClS2 free radical in the gaseous phase has been observed in the millimetre- and submillimetre-wave regions. The ClS2 radical was generated by a dc glow discharge in either S2Cl2 or SCl2. Both a- and b-type R-branch transitions, most of which were split into two fine structure components, were detected for both of the 35Cl and 37Cl isotopic species in the ground vibronic state. As expected from the small hyperfine interaction constants reported by an electron spin resonance (ESR) study, the hyperfine structure was resolved for none of the transitions observed in the present study. Analysis of the observed transition frequencies yielded rotational and centrifugal distortion constants and also spin–rotation interaction constants with their centrifugal corrections. The spin–rotation interaction constants obtained in the present study were consistent with g values of the ESR study. The rotational constants of the two isotopic species led to the structure parameters r(S—S) = 1.906 (7) Å, r(S—Cl) = 2.071 (5) Å, and θ(SSCl) = 110.3 (4)°. A harmonic force field was derived from the observed centrifugal distortion constants and inertial defects combined with the ν1 frequency reported in literature on electronic spectroscopy. This harmonic force field yielded the ν2 and ν3 frequencies (445 (21) and 213.0 (2) cm−1, respectively, for 35ClS2), which differed considerably from the values reported previously.


1978 ◽  
Vol 33 (1) ◽  
pp. 45-54 ◽  
Author(s):  
J. C. Whitmer ◽  
S. J. Cyvin ◽  
B. N. Cyvin

Complete normal coordinate analyses were performed for naphthalene, anthracene, biphenylene and perylene, starting from a simple force field with seven adjustable force constants. A relationship between bond orders and carbon-carbon stretching force constants was deduced from: (a) bond distances as a function of bond orders, (b) a version of Badger's rule relating stretching force constants to the bond distances. The relationship was used to modify the initial seven-parameter force field, and the vibrational frequencies calculated from both the initial and modified force fields are discussed. In general the simple force field approximation produces sets of frequencies in remarkably good agreement with experimental assignments. The force field approximation failed badly when applied to benzene. No obvious explanation was found for this unexpected feature, which makes it worth while to continue the investigations. The mean amplitudes of vibration were calculated. For perylene an account of the complete set of mean amplitudes is given for the first time.


1988 ◽  
Vol 66 (3) ◽  
pp. 903-921
Author(s):  
Rosemary A. Robbins

This paper is an account of studies of the linguistic transformation that took place in ancient Greece between the eighth and fourth centuries B.C., searching for factors which contribute to the shift in how humans perceived themselves. The group or force-field consciousness of the men of the Iliad and the linguistic factors which allowed “individuality” to emerge by the time of Plato is explored. The account relates the emergence of the notion of “madness” to the development of the individual and asks whether madness is an artifact of individuality and explores the relationship of these developments to our present underlying assumption of a duality in human nature composed of the rational and the irrational.


1978 ◽  
Vol 33 (5) ◽  
pp. 571-580 ◽  
Author(s):  
R. Hamm

The microwave spectra of some vibrational excited states of CSFC1 were measured with a conventional stark modulation spectrometer. As the spectra of the upper two stretching vibrations could not be found for lack of intensity, the equilibrium structure which had been estimated using Kuchitsu's procedure could not yet be determined. Nevertheless a general internal force field of CSFC1 was obtained, using the inertial defects of the measured excited states in the fit program NCA in addition to vibration frequencies and centrifugal distortion constants. Moreover, from the determined anharmonic part of the rotation vibration interaction constants, linear relations between some cubic force constants were established


Author(s):  
Paolo Cianconi ◽  
Batul Hanife ◽  
Francesco Grillo ◽  
Kai Zhang ◽  
Luigi Janiri

Climate change is one of the biggest challenges of our times. Its impact on human populations is not yet completely understood. Many studies have focused on single aspects with contradictory observations. However, climate change is a complex phoenomenon that cannot be adequately addressed from a single discipline's perspective. Hence, we propose a comprehensive conceptual framework on the relationships between climate change and human responses. This framework includes biological, psychological and behavioural aspects, and provides a multidisciplinary overview and critical information for focused interventions. The role of tipping points and regime shifts is explored, and a historical perspective is presented to describe the relationship between climate evolution and socio-cultural crisis. Vulnerability, resilience and adaptation are analyzed from an individual and a community point of view. Finally, emergent behaviours and mass effect phenomena are examined that account for mental maladjustment and conflicts.


2020 ◽  
Author(s):  
Nicholas K. Reimold ◽  
Holly A. Knapp ◽  
Alyssa N. Chesnutt ◽  
Alexa Agne ◽  
Jesse C. Dean

AbstractBackgroundPeople with chronic stroke (PwCS) often exhibit a weakened relationship between pelvis motion and paretic step width, a behavior important for gait stabilization. We have developed a force-field able to manipulate this relationship on a step-by-step basis.ObjectiveThe objective of this study was to investigate the effects of a single exposure to our novel force-field on the step-by-step modulation of paretic step width among PwCS, quantified by the partial correlation between mediolateral pelvis displacement at the start of a step and paretic step width (step start paretic ρdisp).MethodsFollowing a 3-minute period of normal walking, participants were exposed to 5-minutes of either force-field assistance (n=10; pushing the swing leg toward a mechanically-appropriate step width) or perturbations (n=10; pushing the swing leg away from a mechanically-appropriate step width). This period of assistance or perturbations was followed by a 1-minute catch period to identify any after-effects, a sign of sensorimotor adaptation.ResultsWe found that assistance did not have a significant direct effect or after-effect on step start paretic ρdisp. In contrast, perturbations directly reduced step start paretic ρdisp (p=0.004), but were followed by an after-effect in which this metric was increased above the baseline level (p=0.02).ConclusionsThese initial results suggest that PwCS have the ability to strengthen the link between pelvis motion and paretic foot placement if exposed to a novel mechanical environment, which may benefit gait stability. Future work is needed to determine whether this effect can be extended with repeated exposure to force-field perturbations.


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