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Journal articles on the topic 'Asymmetric top molecule'

Author: Grafiati

Published: 22 February 2025

Last updated: 31 July 2025

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1

Schmiedt, Hanno, Stephan Schlemmer, Sergey N. Yurchenko, Andrey Yachmenev, and Per Jensen. "A semi-classical approach to the calculation of highly excited rotational energies for asymmetric-top molecules." Physical Chemistry Chemical Physics 19, no. 3 (2017): 1847–56. http://dx.doi.org/10.1039/c6cp05589c.

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2

Coudert, L. H. "Optimal orientation of an asymmetric top molecule with terahertz pulses." Journal of Chemical Physics 146, no. 2 (2017): 024303. http://dx.doi.org/10.1063/1.4973773.

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3

Carvajal, M., C. Favre, I. Kleiner, C. Ceccarelli, E. A. Bergin, and D. Fedele. "Impact of nonconvergence and various approximations of the partition function on the molecular column densities in the interstellar medium." Astronomy & Astrophysics 627 (July 2019): A65. http://dx.doi.org/10.1051/0004-6361/201935469.

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We emphasize that the completeness of the partition function, that is, the use of a converged partition function at the typical temperature range of the survey, is very important to decrease the uncertainty on this quantity and thus to derive reliable interstellar molecular densities. In that context, we show how the use of different approximations for the rovibrational partition function together with some interpolation and/or extrapolation procedures may affect the estimate of the interstellar molecular column density. For that purpose, we apply the partition function calculations to astrono

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4

Vacherand, J. M., and J. Demaison. "Notizen: Remark on the Off-Diagonal Rotational g-Tensor Elements in Asymmetric-Top Molecules." Zeitschrift für Naturforschung A 41, no. 6 (1986): 879–80. http://dx.doi.org/10.1515/zna-1986-0616.

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The isotopic dependence of the g-tensor of an asymmetric top molecule is investigated. A relationship is proposed which may be used to determine the g-tensor for isotopic species without measurements.

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5

Che, Dock-Chil, Federico Palazzetti, Yasuhiro Okuno, Vincenzo Aquilanti, and Toshio Kasai. "Electrostatic Hexapole State-Selection of the Asymmetric-Top Molecule Propylene Oxide†." Journal of Physical Chemistry A 114, no. 9 (2010): 3280–86. http://dx.doi.org/10.1021/jp909553t.

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6

Oldag, Frank, and Dieter H. Sutter. "The Rotational Zeeman Effect in Acetone, its g-Tensor, its Magnetic Susceptibility Anisotropics and its Molecular Electric Quadrupole Moment Tensor; A High Resolution Microwave Fourier Transform Study." Zeitschrift für Naturforschung A 47, no. 3 (1992): 527–32. http://dx.doi.org/10.1515/zna-1992-0315.

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Abstract Acetone is a molecule with an intermediate barrier for methyl- top internal rotation, and only molecules in the A1A1 - state of the tunneling motion exhibit a rigid rotor spectrum. For this state we report the results of a rotational Zeeman effect study of acetone in exterior fields up to 20 kGauss (2 Tesla). From an analysis of the observed Zeeman splittings within the asymmetric top approximation the nonzero elements of the g-tensor and the magnetic susceptibility anisotropies were obtained as follows: gaa= -0.04379 (8), gbb = - 0.06611 (5), gcc=-O.O1481 (7), 2ξaa -ξbb - ξcc = - 9.5

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7

Song Xiao-Shu, Linghu Rong-Feng, Lü Bing, Cheng Xin-Lu, and Yang Xiang-Dong. "Study on high-temperature spectra of the asymptotic asymmetric-top molecule H122C16O." Acta Physica Sinica 57, no. 6 (2008): 3440. http://dx.doi.org/10.7498/aps.57.3440.

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8

Xiao-Shu, Song, Guo Yun-Dong, Ling-Hu Rong-Feng, Lü Bing, Cheng Xin-Lu, and Yang Xiang-Dong. "Study on High-Temperature Spectra of Asymptotic Asymmetric-Top Molecule O 3." Communications in Theoretical Physics 50, no. 2 (2008): 481–85. http://dx.doi.org/10.1088/0253-6102/50/2/40.

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9

Dreizler, H., and S. Kassi. "On the Ambiguity of Complex Structures Derived from one Set of Rotational Constants." Zeitschrift für Naturforschung A 53, no. 9 (1998): 743–46. http://dx.doi.org/10.1515/zna-1998-0902.

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Abstract It is shown algebraically that from one set of rotational constants or moments of inertia of a complex formed by an asymmetric top molecule and a rare gas atom, eight generally different structures result which are compatible with the moments of inertia.

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10

Schnyder, T., H. Gross, H. Winkler, H. M. Eppenberger, and T. Wallimann. "Structure of the mitochondrial creatine kinase octamer: high-resolution shadowing and image averaging of single molecules and formation of linear filaments under specific staining conditions." Journal of Cell Biology 112, no. 1 (1991): 95–101. http://dx.doi.org/10.1083/jcb.112.1.95.

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The combination of high-resolution tantalum/tungsten (Ta/W) shadowing at very low specimen temperature (-250 degrees C) under ultrahigh vacuum (less than 2 x 10(-9) mbar) with circular harmonic image averaging revealed details on the surface structure of mitochondrial creatine kinase (Mi-CK) molecules with a resolution less than 2.5 nm. Mi-CK octamers exhibit a cross-like surface depression dividing the square shaped projection of 10 x 10 nm into four equally sized subdomains, which correspond to the four dimers forming the octameric Mi-CK molecule. By a combination of positive staining (with

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11

Mitra, Krishna, and Pradip N. Ghosh. "Vibration-internal rotation-rotation Hamiltonian of an asymmetric top molecule with C3v internal rotor." Journal of Molecular Spectroscopy 109, no. 2 (1985): 374–87. http://dx.doi.org/10.1016/0022-2852(85)90320-0.

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12

Rowland, David J., and Julie S. Biteen. "Top-Hat and Asymmetric Gaussian-Based Fitting Functions for Quantifying Directional Single-Molecule Motion." ChemPhysChem 15, no. 4 (2013): 712–20. http://dx.doi.org/10.1002/cphc.201300774.

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13

Ulenikov, Oleg, Elena Bekhtereva, Olga Gromova, Aleksei Kakaulin, Christian Sydow, and Sigurd Bauerecker. "Improved Theory of the Effective Dipole Moments and Absolute Line Strengths of the XY2 Asymmetric Top Molecules in the X2B1 Doublet Electronic States." International Journal of Molecular Sciences 24, no. 16 (2023): 12734. http://dx.doi.org/10.3390/ijms241612734.

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A new effective dipole moment model for the XY2 (C2v−symmetry) molecule in a doublet electronic state is derived that includes (as special cases) all currently known models of effective dipole moments for such types of molecules, and allows us to take into account the influence of spin–rotation interactions on the effective dipole moment operator that were not considered in the preceding studies. Necessary for the analysis of absolute line strengths, the matrix elements of this dipole moment operator are derived. A comparison with the previous analog models is made and discussed. The efficienc

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14

Ortigoso, Juan. "Design of tailored microwave pulses to create rotational coherent states for an asymmetric-top molecule." Physical Review A 57, no. 6 (1998): 4592–99. http://dx.doi.org/10.1103/physreva.57.4592.

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15

Che, Dock-Chil, Keita Kanda, Federico Palazzetti, Vincenzo Aquilanti, and Toshio Kasai. "Electrostatic hexapole state-selection of the asymmetric-top molecule propylene oxide: Rotational and orientational distributions." Chemical Physics 399 (May 2012): 180–92. http://dx.doi.org/10.1016/j.chemphys.2011.11.020.

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16

Perevalov, V. I., and A. A. Lukashevskaya. "Parameterization of the effective dipole moment matrix elements in the case of the asymmetric top molecules. Application to NO2 molecule." Atmospheric and Oceanic Optics 28, no. 1 (2015): 17–23. http://dx.doi.org/10.1134/s1024856015010091.

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17

Coudert, L. H. "Optimal control of the orientation and alignment of an asymmetric-top molecule with terahertz and laser pulses." Journal of Chemical Physics 148, no. 9 (2018): 094306. http://dx.doi.org/10.1063/1.5018914.

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18

Hougen, J. T., I. Kleiner, and M. Godefroid. "Selection Rules and Intensity Calculations for a Cs Asymmetric Top Molecule Containing a Methyl Group Internal Rotor." Journal of Molecular Spectroscopy 163, no. 2 (1994): 559–86. http://dx.doi.org/10.1006/jmsp.1994.1047.

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19

Oyama, Takahiro, Yuki Ohno, Akemi Tamanai, et al. "Laboratory Measurement of CH₂DOH Line Intensities in the Millimeter-wave Region." Astrophysical Journal 957, no. 1 (2023): 4. http://dx.doi.org/10.3847/1538-4357/acf320.

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Abstract Deuterium fractionation in molecules is known as one of the most powerful tools to study chemical processes during star and planet formation. Among various interstellar molecules, methanol often shows very high deuterium fractionation. It is the most abundant saturated organic molecule and is known as a parent species to form more complex organic molecules. However, deriving the abundance of deuterated methanol suffers from the uncertainty in the intrinsic line intensities (S μ 2) of CH3OH isotopologues. Due to their floppy nature, theoretical evaluation of the S μ 2 values is not str

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20

Evans, Myron Wyn. "Diffusion of an asymmetric-top molecule in three dimensions. Langevin equations and new, one-particle cross-correlation functions." Journal of the Chemical Society, Faraday Transactions 2 82, no. 4 (1986): 653. http://dx.doi.org/10.1039/f29868200653.

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21

Maeda, Koki, Sakae Toyoda, Ryosuke Shimojima, et al. "Source of Nitrous Oxide Emissions during the Cow Manure Composting Process as Revealed by Isotopomer Analysis of and amoA Abundance in Betaproteobacterial Ammonia-Oxidizing Bacteria." Applied and Environmental Microbiology 76, no. 5 (2010): 1555–62. http://dx.doi.org/10.1128/aem.01394-09.

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ABSTRACT A molecular analysis of betaproteobacterial ammonia oxidizers and a N2O isotopomer analysis were conducted to study the sources of N2O emissions during the cow manure composting process. Much NO2 −-N and NO3 −-N and the Nitrosomonas europaea-like amoA gene were detected at the surface, especially at the top of the composting pile, suggesting that these ammonia-oxidizing bacteria (AOB) significantly contribute to the nitrification which occurs at the surface layer of compost piles. However, the 15N site preference within the asymmetric N2O molecule (SP = δ15Nα − δ15Nβ, where 15Nα and 1

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22

Uprety, Bhawna, and Charmaine Arderne. "The crystal structure of the zwitterionic co-crystal of 2,4-dichloro-6-{[(3-hydroxypropyl)azaniumyl]methyl}phenolate and 2,4-dichlorophenol." Acta Crystallographica Section E Crystallographic Communications 75, no. 10 (2019): 1452–55. http://dx.doi.org/10.1107/s2056989019012544.

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The title compound, C10H13Cl2NO2·C6H4Cl2O, was formed from the incomplete Mannich condensation reaction of 3-aminopropan-1-ol, formaldehyde and 2,4-dichlorophenol in methanol. This resulted in the formation of a co-crystal of the zwitterionic Mannich base, 2,4-dichloro-6-{[(3-hydroxypropyl)azaniumyl]methyl}phenolate and the unreacted 2,4-dichlorophenol. The compound crystallizes in the monoclinic crystal system (in space group Cc) and the asymmetric unit contains a molecule each of the 2,4-dichlorophenol and 2,4-dichloro-6-{[(3-hydroxypropyl)azaniumyl]methyl}phenolate. Examination of the cryst

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23

Fujitake, Masaharu, Jun Nakagawa, and Michiro Hayashi. "Microwave spectrum of methyliodosilane: Determination of the dipole moment and eqQ of an asymmetric top molecule containing an atom with a large nuclear quadrupole moment." Journal of Molecular Spectroscopy 119, no. 2 (1986): 367–76. http://dx.doi.org/10.1016/0022-2852(86)90031-7.

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24

PEREDERINA, ANNA, NATALIA NEVSKAYA, OLEG NIKONOV, et al. "Detailed analysis of RNA–protein interactions within the bacterial ribosomal protein L5/5S rRNA complex." RNA 8, no. 12 (2002): 1548–57. http://dx.doi.org/10.1017/s1355838202029953.

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The crystal structure of ribosomal protein L5 from Thermus thermophilus complexed with a 34-nt fragment comprising helix III and loop C of Escherichia coli 5S rRNA has been determined at 2.5 Å resolution. The protein specifically interacts with the bulged nucleotides at the top of loop C of 5S rRNA. The rRNA and protein contact surfaces are strongly stabilized by intramolecular interactions. Charged and polar atoms forming the network of conserved intermolecular hydrogen bonds are located in two narrow planar parallel layers belonging to the protein and rRNA, respectively. The regions, includi

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25

Margulès, L., B. A. McGuire, R. A. Motiyenko, et al. "Millimeter wave spectroscopy of cyanoketene (NC–CH=C=O) and an observational search in the ISM." Astronomy & Astrophysics 638 (May 29, 2020): A3. http://dx.doi.org/10.1051/0004-6361/201937183.

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Context. Ketene was detected in the interstellar medium (ISM) in 1977. Until now, only one derivative, the ketenyl radical, has been observed in this medium. Due to its large dipole moment value, cynaoketene is one of the best candidates for possible ketene derivative detection. Aims. To date, the measurements of the rotational spectra have been limited to 60 GHz. The extrapolation of the prediction in the millimeter wave domain is inaccurate and does not permit an unambiguous detection. Methods. The rotational spectra were re-investigated up to 330 GHz. Using the new prediction cyanoketene wa

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26

Oeffner, Robert D., Gábor Bunkóczi, Airlie J. McCoy, and Randy J. Read. "Improved estimates of coordinate error for molecular replacement." Acta Crystallographica Section D Biological Crystallography 69, no. 11 (2013): 2209–15. http://dx.doi.org/10.1107/s0907444913023512.

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The estimate of the root-mean-square deviation (r.m.s.d.) in coordinates between the model and the target is an essential parameter for calibrating likelihood functions for molecular replacement (MR). Good estimates of the r.m.s.d. lead to good estimates of the variance term in the likelihood functions, which increases signal to noise and hence success rates in the MR search.Phaserhas hitherto used an estimate of the r.m.s.d. that only depends on the sequence identity between the model and target and which was not optimized for the MR likelihood functions. Variance-refinement functionality was

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27

Dickinson, A. S., R. Hellmann, E. Bich, and E. Vogel. "Transport properties of asymmetric-top molecules." Physical Chemistry Chemical Physics 9, no. 22 (2007): 2836. http://dx.doi.org/10.1039/b618549e.

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28

Edwards, Beatrice Freya Lucy, Richard John Wheeler, Amy Rachel Barker, Flávia Fernandes Moreira-Leite, Keith Gull, and Jack Daniel Sunter. "Direction of flagellum beat propagation is controlled by proximal/distal outer dynein arm asymmetry." Proceedings of the National Academy of Sciences 115, no. 31 (2018): E7341—E7350. http://dx.doi.org/10.1073/pnas.1805827115.

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The 9 + 2 axoneme structure of the motile flagellum/cilium is an iconic, apparently symmetrical cellular structure. Recently, asymmetries along the length of motile flagella have been identified in a number of organisms, typically in the inner and outer dynein arms. Flagellum-beat waveforms are adapted for different functions. They may start either near the flagellar tip or near its base and may be symmetrical or asymmetrical. We hypothesized that proximal/distal asymmetry in the molecular composition of the axoneme may control the site of waveform initiation and the direction of waveform prop

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29

Liza, Nishattasnim, Dylan Murphey, Peizhong Cong, David W. Beggs, Yuihui Lu, and Enrique P. Blair. "Asymmetric, mixed-valence molecules for spectroscopic readout of quantum-dot cellular automata." Nanotechnology 33, no. 11 (2021): 115201. http://dx.doi.org/10.1088/1361-6528/ac40c0.

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Abstract Mixed-valence compounds may provide molecular devices for an energy-efficient, low-power, general-purpose computing paradigm known as quantum-dot cellular automata (QCA). Multiple redox centers on mixed-valence molecules provide a system of coupled quantum dots. The configuration of mobile charge on a double-quantum-dot (DQD) molecule encodes a bit of classical information robust at room temperature. When arranged in non-homogeneous patterns (circuits) on a substrate, local Coulomb coupling between molecules enables information processing. While single-electron transistors and single-

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30

Patterson, Chris W., R. Scott Smith, and Randall B. Shirts. "Rotational adiabatic switching of asymmetric top molecules." Journal of Chemical Physics 85, no. 12 (1986): 7241–44. http://dx.doi.org/10.1063/1.451361.

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31

Willitsch, S., and F. Merkt. "Rovibronic photoionization dynamics of asymmetric-top molecules." International Journal of Mass Spectrometry 245, no. 1-3 (2005): 14–25. http://dx.doi.org/10.1016/j.ijms.2005.06.004.

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32

Bulthuis, J., J. Möller, and H. J. Loesch. "Brute Force Orientation of Asymmetric Top Molecules." Journal of Physical Chemistry A 101, no. 41 (1997): 7684–90. http://dx.doi.org/10.1021/jp9716750.

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33

Wormer, Paul E. S. "Second virial coefficients of asymmetric top molecules." Journal of Chemical Physics 122, no. 18 (2005): 184301. http://dx.doi.org/10.1063/1.1889428.

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34

Flaud, J. M., A. Perrin, and C. Camy-Peyret. "Fourier transform spectroscopy of asymmetric top molecules." Spectrochimica Acta Part A: Molecular and Biomolecular Spectroscopy 51, no. 7 (1995): 1217–30. http://dx.doi.org/10.1016/0584-8539(94)00148-5.

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35

Chandra, S., and W. H. Kegel. "Collisional rates for asymmetrical top molecules." Astronomy and Astrophysics Supplement Series 142, no. 1 (2000): 113–18. http://dx.doi.org/10.1051/aas:2000142.

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36

Poulsen, Mikael D., Emmanuel Péronne, Henrik Stapelfeldt, et al. "Nonadiabatic alignment of asymmetric top molecules: Rotational revivals." Journal of Chemical Physics 121, no. 2 (2004): 783–91. http://dx.doi.org/10.1063/1.1760731.

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37

Zhao, Xiaojun, Ying Yang, David H. A. Fitch, and Michael A. Herman. "TLP-1 is an asymmetric cell fate determinant that responds to Wnt signals and controls male tail tip morphogenesis in C. elegans." Development 129, no. 6 (2002): 1497–508. http://dx.doi.org/10.1242/dev.129.6.1497.

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We have isolated mutations defining a new gene, tlp-1, that affect asymmetric cell fates and morphogenesis during the development of the C. elegans tail. tlp-1 mutations cause defects in the specification of asymmetric cell fates in the descendants of the T blast cell, whose polarity is controlled by Wnt signaling and cause abnormal male tail development leading to the formation of a posterior protrusion reminiscent of ‘leptoderan’, or pointy tailed, nematode species. In wild-type C. elegans males, which have a ‘peloderan’ or rounded tail, retraction of the tail tip hypodermis involves a tempo

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38

Chen, Kuo-Mei. "Laser-Induced Alignments of Symmetric and Asymmetric Top Molecules." Journal of the Chinese Chemical Society 48, no. 3 (2001): 609–12. http://dx.doi.org/10.1002/jccs.200100091.

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39

ARANGO, CARLOS A., and GREGORY S. EZRA. "CLASSICAL MECHANICS OF DIPOLAR ASYMMETRIC TOP MOLECULES IN COLLINEAR STATIC ELECTRIC AND NONRESONANT LINEARLY POLARIZED LASER FIELDS: ENERGY-MOMENTUM DIAGRAMS, BIFURCATIONS AND ACCESSIBLE CONFIGURATION SPACE." International Journal of Bifurcation and Chaos 18, no. 04 (2008): 1127–49. http://dx.doi.org/10.1142/s0218127408020872.

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We study classical energy-momentum (E-m) diagrams for rotational motion of dipolar asymmetric top molecules in strong external fields. Static electric fields, nonresonant linearly polarized laser fields, and collinear combinations of the two are investigated. We treat specifically the molecules iodobenzene (a nearly prolate asymmetric top), pyridazine (nearly oblate asymmetric top), and iodopentafluorobenzene (intermediate case). The location of relative equilibria in the E-m plane and associated bifurcations are determined by straightforward calculation, with analytical results given where po

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40

Kalmykov, Yu P. "Spectral Moments and Orientation Correlation Functions of Asymmetric Top Molecules." Optics and Spectroscopy 89, no. 1 (2000): 23. http://dx.doi.org/10.1134/1.1131509.

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41

Weida, Miles J., and Charles S. Parmenter. "Aligning symmetric and asymmetric top molecules via single photon excitation." Journal of Chemical Physics 107, no. 18 (1997): 7138–47. http://dx.doi.org/10.1063/1.474955.

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42

Kalmykov, Yu P., and S. V. Titov. "Spectral moments and orientation correlation functions of asymmetric top molecules." Optics and Spectroscopy 89, no. 1 (2000): 23–29. http://dx.doi.org/10.1134/bf03355983.

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43

Hain, Toby D., Robert M. Moision, and Thomas J. Curtiss. "Hexapole state-selection and orientation of asymmetric top molecules: CH2F2." Journal of Chemical Physics 111, no. 15 (1999): 6797–806. http://dx.doi.org/10.1063/1.480043.

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44

Nakamura, Masaaki, Shiun-Jr Yang, Po-Yu Tsai, et al. "Hexapole-Oriented Asymmetric-Top Molecules and Their Stereodirectional Photodissociation Dynamics." Journal of Physical Chemistry A 120, no. 27 (2016): 5389–98. http://dx.doi.org/10.1021/acs.jpca.6b02410.

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45

Watson, James K. G. "Quadratic Herman-Wallis factors for symmetric- and asymmetric-top molecules." Journal of Molecular Spectroscopy 153, no. 1-2 (1992): 211–24. http://dx.doi.org/10.1016/0022-2852(92)90470-9.

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46

Wenger, Ch, W. Raballand, M. Rotger, and V. Boudon. "top data system (TDS) software for spectrum simulation of asymmetric molecules." Journal of Quantitative Spectroscopy and Radiative Transfer 95, no. 4 (2005): 521–38. http://dx.doi.org/10.1016/j.jqsrt.2004.11.012.

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47

Hempel, Andrew, Norman Camerman, Donald Mastropaolo, and Arthur Camerman. "Calmodulin antagonists: Structure of N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide hydrochloride (W-7) and comparison with trifluoperazine (TFP) Calmodulin binding." Canadian Journal of Chemistry 83, no. 8 (2005): 1141–45. http://dx.doi.org/10.1139/v05-133.

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The crystal structure of the title compound contains one N-(6-aminohexyl)-5-chloro-1-naphthalenesulfonamide hydrochloride molecule in the asymmetric unit. The molecule adopts an extended conformation with a linear hexyl group. Protonation occurs at the side chain terminal nitrogen atom. Hydrophobic packing and a three-dimensional hydrogen-bond network, involving all the hydrogen atoms capable of making hydrogen-bond contacts, stabilizes the crystal structure. Due to head-to-head and tail-to-tail arrangement of these hydrophobic molecules, an unusually long cell constant (b = 61.27 Å) character

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48

Dreizler, H., U. Andresen, J. U. Grabow, and D. H. Sutter. "On the Measurement of Rotational Spectra of Monodeuterated Asymmetric Top Molecules in Natural Abundance Demonstrated for Monofluorobenzene." Zeitschrift für Naturforschung A 53, no. 10-11 (1998): 887–90. http://dx.doi.org/10.1515/zna-1998-10-1113.

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Abstract We report on the measurement of rotational transitions of monodeuterated fluorobenzene in natural abundance to show the feasibility of the investigation of monodeuterated asymmetric top molecules without the necessity of isotopic enrichment.

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49

Omiste, J. J., R. González-Férez, and P. Schmelcher. "Rotational spectrum of asymmetric top molecules in combined static and laser fields." Journal of Chemical Physics 135, no. 6 (2011): 064310. http://dx.doi.org/10.1063/1.3624774.

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50

Moruzzi, Giovanni. "An automated branch-assignment algorithm for rovibrational spectra of asymmetric-top molecules." Journal of Molecular Spectroscopy 246, no. 1 (2007): 77–85. http://dx.doi.org/10.1016/j.jms.2007.08.004.

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