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Structures of Cage, Prism, and Book Isomers of Water Hexamer from Broadband Rotational Spectroscopy
It is reported that broadband rotational spectroscopy in a pulsed supersonic expansion unambiguously identifies all three isomers of the water hexamer; their oxygen framework structures are determined by means of oxygen-18–substituted water (H218O). Expand
DETECTION OF E-CYANOMETHANIMINE TOWARD SAGITTARIUS B2(N) IN THE GREEN BANK TELESCOPE PRIMOS SURVEY
The detection of E-cyanomethanimine (E-HNCHCN) toward Sagittarius B2(N) is made by comparing the publicly available Green Bank Telescope (GBT) PRIMOS survey spectra to laboratory rotational spectra… Expand
Laboratory and tentative interstellar detection of trans-methyl formate using the publicly available Green Bank Telescope PRIMOS survey
The rotational spectrum of the higher-energy trans conformational isomer of methyl formate has been assigned for the first time using several pulsed-jet Fourier transform microwave spectrometers in… Expand
THE DETECTION OF INTERSTELLAR ETHANIMINE (CH3CHNH) FROM OBSERVATIONS TAKEN DURING THE GBT PRIMOS SURVEY
We have performed reaction product screening measurements using broadband rotational spectroscopy to identify rotational transition matches between laboratory spectra and the Green Bank Telescope… Expand
An Isolated Complex of Ethyne and Gold Iodide Characterized by Broadband Rotational Spectroscopy and Ab initio Calculations.
- J. Mullaney, S. Stephens, +4 authors A. Legon
- Chemistry, Medicine
- The journal of physical chemistry. A
- 17 September 2015
Ab initio calculations at the CCSD(T)(F12*)/AVTZ level are consistent with the experimentally determined geometry and allow calculation of the dissociation energy (De) as 136 kJ mol(-1). Expand
Distortions of ethyne when complexed with a cuprous or argentous halide: the rotational spectrum of C2H2⋯CuF. Physical Chemistry: Chemical Physics 2015, 17(29), 19230-19237.
Broadband Fourier transform rotational spectroscopy for structure determination: The water heptamer
Over the recent years chirped-pulse, Fourier-transform microwave (CP-FTMW) spectrometers have changed the scope of rotational spectroscopy. The broad frequency and large dynamic range make possible… Expand
Hydrogen bond cooperativity and the three-dimensional structures of water nonamers and decamers.
The cooperativity effects revealed by the hydrogen bond OO distance variations are shown to be consistent with a simple model for hydrogen bonding in water that takes into account the cooperative and anticooperative bonding effects of nearby water molecules. Expand
AUTOFIT, an automated fitting tool for broadband rotational spectra, and applications to 1-hexanal
Abstract Broadband chirped-pulse Fourier transform microwave (CP-FTMW) spectrometers have increased the sensitivity for molecular rotational spectroscopy. The measurement dynamic range is often large… Expand
Water-water and water-solute interactions in microsolvated organic complexes.
The changes induced in the structures of the water hydrogen-bonding network by complexation to BPL indicate that water clusters adopt specific configurations to maximize their links to solute molecules. Expand