Microwave spectroscopy of AgCCH and AuCCH in the <mml:math xmlns:mml="http://www.w3.org/1998/Math/MathML" altimg="si18.gif" overflow="scroll"><mml:mrow><mml:mover accent="true"><mml:mrow><mml:mi mathvariant="normal">X</mml:mi></mml:mrow><mml:mrow><mml:mo>̃</mml:mo></mml:mrow></mml:mover><mml:msup><mml:mrow/><mml:mrow><mml:mn>1</mml:mn></mml:mrow></mml:msup><mml:msup><mml:mrow><mml:mi mathvariant="normal">Σ</mml:mi></mml:mrow><mml:mrow><mml:mo>+</mml:mo></mml:mrow></mml:msup></mml:mrow></mml:math> states

Ohteki, Toshiaki; Kubota, Hirofumi; Araki, Mitsunori; Kuze, Nobuhiko

doi:10.1016/j.cplett.2013.05.027

Cited by 12 publications

(23 citation statements)

References 46 publications

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“…Isotopically enriched samples of 12 13 CH. It will be shown that the silver atom in C 2 H 2 • • •AgCCH is extremely close to the centre of mass in this complex.…”

Section: Methodsmentioning

confidence: 99%

“…The isolated AgCCH monomer has been generated by laser ablation and previously detected by microwave spectroscopy. 12,13 It is known that C 2 H 2 is present in the expanding gas sample with sufficient abundance to form molecular complexes. To explore this new possibility, the broadband spectrum can be examined for evidence of the isolated AgCCH monomer.…”

Section: A Qualitative Interpretationmentioning

confidence: 99%

“…The principal aims of this work are to probe the geometry of the complex formed between C 2 H 2 and AgCCH and to test whether the empirical rules that accurately predict the geometries of similar hydrogen-and halogen-bonded complexes also apply to this example of a B• • •AgCCH complex. In addition, spectra have been measured and spectroscopic parameters determined for 13 Ccontaining isotopologues of AgCCH. The spectra measured for 107/109 Ag 12 C 12 CH and 107/109 Ag 12 C 12 CD are consistent with studies performed previously elsewhere.…”

Section: Introductionmentioning

confidence: 99%

“…The spectra measured for 107/109 Ag 12 C 12 CH and 107/109 Ag 12 C 12 CD are consistent with studies performed previously elsewhere. 12,13…”

Section: Introductionmentioning

confidence: 99%

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Distortion of ethyne on coordination to silver acetylide, C2H2⋅⋅⋅AgCCH, characterised by broadband rotational spectroscopy and ab initio calculations

Stephens

Zaleski

Mizukami

et al. 2014

The Journal of Chemical Physics

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The rotational spectra of six isotopologues of a complex of ethyne and silver acetylide, C2H2⋅⋅⋅AgCCH, are measured by both chirped-pulse and Fabry-Perot cavity versions of Fourier-transform microwave spectroscopy. The complex is generated through laser ablation of a silver target in the presence of a gas sample containing 1% C2H2, 1% SF6, and 98% Ar undergoing supersonic expansion. Rotational, A0, B0, C0, and centrifugal distortion ΔJ and ΔJK constants are determined for all isotopologues of C2H2⋅⋅⋅AgCCH studied. The geometry is planar, C2v and T-shaped in which the C2H2 sub-unit comprises the bar of the "T" and binds to the metal atom through its π electrons. In the r0 geometry, the distance of the Ag atom from the centre of the triple bond in C2H2 is 2.2104(10) Å. The r(HC≡CH) parameter representing the bond distance separating the two carbon atoms and the angle, ∠(CCH), each defined within the C2H2 sub-unit, are determined to be 1.2200(24) Å and 186.0(5)°, respectively. This distortion of the linear geometry of C2H2 involves the hydrogen atoms moving away from the silver atom within the complex. The results thus reveal that the geometry of C2H2 changes measurably on coordination to AgCCH. A value of 59(4) N m(-1) is determined for the intermolecular force constant, kσ, confirming that the complex is significantly more strongly bound than hydrogen and halogen-bonded analogues. Ab initio calculations of the re geometry at the CCSD(T)(F12(*))/ACVTZ level of theory are consistent with the experimental results. The spectra of the (107)Ag(13)C(13)CH and (109)Ag(13)C(13)CH isotopologues of free silver acetylide are also measured for the first time allowing the geometry of the AgCCH monomer to be examined in greater detail than previously.

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“…Isotopically enriched samples of 12 13 CH. It will be shown that the silver atom in C 2 H 2 • • •AgCCH is extremely close to the centre of mass in this complex.…”

Section: Methodsmentioning

confidence: 99%

Section: A Qualitative Interpretationmentioning

confidence: 99%

Section: Introductionmentioning

confidence: 99%

“…The spectra measured for 107/109 Ag 12 C 12 CH and 107/109 Ag 12 C 12 CD are consistent with studies performed previously elsewhere. 12,13…”

Section: Introductionmentioning

confidence: 99%

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Distortion of ethyne on coordination to silver acetylide, C2H2⋅⋅⋅AgCCH, characterised by broadband rotational spectroscopy and ab initio calculations

Stephens

Zaleski

Mizukami

et al. 2014

The Journal of Chemical Physics

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“…: +86 10 62635054, Fax: +86 10 62563167. microwave (FTMW) spectroscopy. 22 The photoelectron spectra of AuC 2 , 23,24 AuC 3 H , 25 and AuC 4 H 26 as well as those of AuC n and AuC n H (n = 2, 4, and 6) 27 were measured using electron velocity map imaging (VMI) technique. The photoelectron spectra and bonding properties of LAuC 2 H (L = Cl, I, and C 2 H) were investigated using the magnetic-bottle anion photoelectron spectroscopy experiment and theoretical calculations.…”

Section: Introductionmentioning

confidence: 99%

Gas phase anion photoelectron spectroscopy and theoretical investigation of gold acetylide species

Wang

Zhang

et al. 2017

The Journal of Chemical Physics

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We conducted gas phase anion photoelectron spectroscopy and density functional theory studies on a number of gold acetylide species, such as AuCH, AuCAu, and AuCH. Based on the photoelectron spectra, the electron affinities of AuCH, AuCAu, and AuCH are measured to be 1.54(±0.04), 1.60(±0.08), and 4.23(±0.08) eV, respectively. The highest occupied molecular orbital-lowest unoccupied molecular orbital (HOMO-LUMO) gaps of AuCH and AuCAu are measured to be about 2.62 and 2.48 eV, respectively. It is interesting that photoelectron spectra of AuCH and AuCAu display similar spectral features. The comparison of experimental and theoretical results confirms that the ground-state structures of AuCH, AuCAu, and their neutrals are all linear with Au-C≡C-H and Au-C≡C-Au configurations. The similar geometric structures, spectral features, HOMO-LUMO gaps, and chemical bonding between AuCH and AuCAu demonstrate that Au atom behaves like H atom in these species. The photoelectron spectrum of AuCH shows that AuCH has a high electron affinity of 4.23(±0.08) eV, indicating AuCH is a superhalogen. Further, we found an unusual similarity between the terminal Au atom of AuCH and the iodine atom of IAuCH.

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Aurocarbons: Binary Gold Carbides, Binary Carbon Aurides and their Derivatives

Perks

Liebman

2014

Patai's Chemistry of Functional Groups

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This chapter discusses diverse aurocarbons, organometallic species which in their simplest form, the first class, are composed of only carbon and gold: they may be understood as binary gold carbides, binary carbon aurides, and as hydrocarbons in which the hydrogens have been replaced by gold. Such species include the highly explosive solid C 2 Au 2 and gas phase exohedral gold‐fullerene complexes (C 60 )2Au + . The second class of aurocarbons are species of the first class in which ligands have been affixed to the gold atoms. This includes the stable C 2 Au 2 (P(C 6 H 5 ) 3 ) 2 and the octahedral [C(AuL) 6 ] 2+ (L = phenyl(bis(p‐tolyl)) phosphine, the latter isolable as the crystalline (BF 4 ) − salt. The third class allows for the presence of “a few” hydrogens or other univalent groups and so includes salts of the anion [HCCCCAuCCCCAuCCCCH] 2− and solutions of the cation [C 6 H 5 CC(AuP(C 6 H 5 ) 3 ) 2 ] + . It is to be emphasized that there must be direct gold–carbon bonding and so the heterometallic cluster Rh 10 C 2 (CO) 2 [AuP(C 6 H 5 ) 3 ) 4 ] is not an aurocarbon of any class even though it contains an allmetal polyhedron, ligated gold atoms, endohedral carbon atoms and a plethora of ligands.

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Microwave spectroscopy of AgCCH and AuCCH in the X̃1Σ+ states

Cited by 12 publications

References 46 publications

Distortion of ethyne on coordination to silver acetylide, C2H2⋅⋅⋅AgCCH, characterised by broadband rotational spectroscopy and ab initio calculations

Distortion of ethyne on coordination to silver acetylide, C2H2⋅⋅⋅AgCCH, characterised by broadband rotational spectroscopy and ab initio calculations

Gas phase anion photoelectron spectroscopy and theoretical investigation of gold acetylide species

Aurocarbons: Binary Gold Carbides, Binary Carbon Aurides and their Derivatives

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