A study of thermal motion in hydrogen-bonded crystals

1959 ◽  
Vol 112 (1-6) ◽  
pp. 68-79 ◽  
Author(s):  
J. Monteath Robertson
Keyword(s):  
Thermal Motion ◽  
Hydrogen Bonded

scholarly journals Assessment of the VDW interaction converting DMAPS from the thermal-motion form to the hydrogen-bonded form

2019 ◽  
Vol 9 (1) ◽  
Author(s):  
Masae Takahashi ◽  
Hiroshi Matsui ◽  
Yuka Ikemoto ◽  
Makoto Suzuki ◽  
Nobuyuki Morimoto
Keyword(s):  
Dft Calculations ◽  
Density Functional ◽  
Amorphous State ◽  
Polarizable Continuum Model ◽  
Thermal Motion ◽  
Isosbestic Point ◽  
Sensitive Function ◽  
Stimuli Sensitive ◽  
Polarizable Continuum ◽  
Hydrogen Bonded

Abstract Assessment of van der Waals (VDW) interactions is fundamental to all of the central quest of structure that regulates the biological function. VDW interactions contributing to intramolecular weak hydrogen bonding are regarded as an important force to regulate the thermal stimuli-sensitive function of sulfobetaine methacrylate, DMAPS. We present here the conversion from the thermal-motion form at room temperature to the weak-hydrogen-bonded form against thermal motion as a terahertz spectral change with a definite isosbestic point from an absorption peak of one form to the other. Vibrational absorptions are used as a probe for assessing VDW interactions in conjunction with highly reliable and well-established density functional theory (DFT) calculations for analysis. Complicated spectral features and uncertain conformations of DMAPS in the amorphous state are clearly resolved under the polarizable continuum model and the dispersion correction for the pure DFT calculations.

An Unnatural Amino Acid that Mimics a Tripeptide β-Strand and Forms β-Sheetlike Hydrogen-Bonded Dimers [J. Am. Chem. Soc.2000,122, 7654-7661]. 

2001 ◽  
Vol 123 (7) ◽  
pp. 1545-1546
Author(s):  
James S. Nowick ◽  
De Michael Chung ◽  
Kalyani Maitra ◽  
Santanu Maitra ◽  
Kimberly D. Stigers ◽  
...  
Keyword(s):  
Amino Acid ◽  
Unnatural Amino Acid ◽  
Hydrogen Bonded

AN X-RAY DIFFRACTION STUDY OF THE THERMAL MOTION OF ATOMS IN β-TIN

1980 ◽  
Vol 41 (C1) ◽  
pp. C1-145-C1-146 ◽  
Author(s):  
B. Greenberg ◽  
G. M. Rothberg
Keyword(s):  
Diffraction Study ◽  
Thermal Motion ◽  
X Ray Diffraction ◽  
X Ray

Hydrogen-Bonded Solvent Systems

1969 ◽  
Vol 67 (1_3) ◽  
pp. 168-168
Author(s):  
H. G. Hertz
Keyword(s):  
Solvent Systems ◽  
Hydrogen Bonded

Energy Dissipation Processes of Singlet Excited 1-Hydroxyfluorenone and its Hydrogen-Bonded Complex with N-Methylimidazole

2004 ◽  
Author(s):  
Krisztina Sebők-Nagy ◽  
László Biczók ◽  
Akimitsu Morimoto ◽  
Tetsuya Shimada ◽  
Haruo Inoue
Keyword(s):  
Energy Dissipation ◽  
Dissipation Processes ◽  
Hydrogen Bonded

A Pseudo Five-Fold Symmetrical Ligand Drives Geometric Frustration in Porous Metal-Organic and Hydrogen Bonded Frameworks

2020 ◽  
Author(s):  
Frederik Haase ◽  
Gavin Craig ◽  
Mickaele Bonneau ◽  
kunihisa sugimoto ◽  
Shuhei Furukawa
Keyword(s):  
Topological Defects ◽  
Porous Metal ◽  
Building Blocks ◽  
Structural Features ◽  
Equilibrium Structure ◽  
Sorption Behavior ◽  
Building Unit ◽  
Geometric Frustration ◽  
Secondary Building Units ◽  
Hydrogen Bonded

Reticular framework materials thrive on designability, but unexpected reaction outcomes are crucial in exploring new structures and functionalities. By combining “incompatible” building blocks, we employed geometric frustration in reticular materials leading to emergent structural features. The combination of a pseudo C<sub>5</sub> symmetrical organic building unit based on a pyrrole core, with a C<sub>4</sub> symmetrical copper paddlewheel synthon led to three distinct frameworks by tuning the synthetic conditions. The frameworks show structural features typical for geometric frustration: self-limiting assembly, internally stressed equilibrium structures and topological defects in the equilibrium structure, which manifested in the formation of a hydrogen bonded framework, distorted and broken secondary building units and dangling functional groups, respectively. The influence of geometric frustration on the CO<sub>2</sub> sorption behavior and the discovery of a new secondary building unit shows geometric frustration can serve as a strategy to obtain highly complex porous frameworks.

A Pseudo Five-Fold Symmetrical Ligand Drives Geometric Frustration in Porous Metal-Organic and Hydrogen Bonded Frameworks

2020 ◽  
Author(s):  
Frederik Haase ◽  
Gavin Craig ◽  
Mickaele Bonneau ◽  
kunihisa sugimoto ◽  
Shuhei Furukawa
Keyword(s):  
Topological Defects ◽  
Porous Metal ◽  
Building Blocks ◽  
Structural Features ◽  
Equilibrium Structure ◽  
Sorption Behavior ◽  
Building Unit ◽  
Geometric Frustration ◽  
Secondary Building Units ◽  
Hydrogen Bonded

Reticular framework materials thrive on designability, but unexpected reaction outcomes are crucial in exploring new structures and functionalities. By combining “incompatible” building blocks, we employed geometric frustration in reticular materials leading to emergent structural features. The combination of a pseudo C<sub>5</sub> symmetrical organic building unit based on a pyrrole core, with a C<sub>4</sub> symmetrical copper paddlewheel synthon led to three distinct frameworks by tuning the synthetic conditions. The frameworks show structural features typical for geometric frustration: self-limiting assembly, internally stressed equilibrium structures and topological defects in the equilibrium structure, which manifested in the formation of a hydrogen bonded framework, distorted and broken secondary building units and dangling functional groups, respectively. The influence of geometric frustration on the CO<sub>2</sub> sorption behavior and the discovery of a new secondary building unit shows geometric frustration can serve as a strategy to obtain highly complex porous frameworks.

Self-Recognizing π-π Stacking Interactions Designed for the Generation of Ultrastable Mesoporous Hydrogen-Bonded Organic Frameworks

2019 ◽  
Author(s):  
KAIKAI MA ◽  
Peng Li ◽  
John Xin ◽  
Yongwei Chen ◽  
Zhijie Chen ◽  
...  
Keyword(s):  
Pore Size ◽  
Fiber Composite ◽  
Aqueous Media ◽  
Stacking Interactions ◽  
Mustard Gas ◽  
X Ray Diffraction ◽  
X Ray ◽  
Expansion Strategy ◽  
Π Stacking ◽  
Hydrogen Bonded

Creating crystalline porous materials with large pores is typically challenging due to undesired interpen-etration, staggered stacking, or weakened framework stability. Here, we report a pore size expansion strategy by self-recognizing π-π stacking interactions in a series of two-dimensional (2D) hydrogen–bonded organic frameworks (HOFs), HOF-10x (x=0,1,2), self-assembled from pyrene-based tectons with systematic elongation of π-conjugated molecular arms. This strategy successfully avoids interpene-tration or staggered stacking and expands the pore size of HOF materials to access mesoporous HOF-102, which features a surface area of ~ 2,500 m2/g and the largest pore volume (1.3 cm3/g) to date among all reported HOFs. More importantly, HOF-102 shows significantly enhanced thermal and chemical stability as evidenced by powder x-ray diffraction and N2 isotherms after treatments in chal-lenging conditions. Such stability enables the adsorption of dyes and cytochrome c from aqueous media by HOF-102 and affords a processible HOF-102/fiber composite for the efficient photochemical detox-ification of a mustard gas simulant.

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