Rotational spectra and structure of the floppy C2H4-H2S complex: bridging hydrogen bonding and van der Waals interactions

Goswami M; Mandal PK; Ramdass DJ; Arunan E

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Rotational spectra and structure of the floppy C2H4-H2S complex: bridging hydrogen bonding and van der Waals interactions

机译：松散的C2H4-H2S配合物的旋转光谱和结构：桥接氢键和范德华相互作用

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This Communication reports the rotational spectrum of a weakly bound C2H4-H2S complex which appears to be a composite of rotational spectra of the hydrogen bonded C2H4-H2O and the van der Waals Complex C2H4-Ar, reported earlier. Each transition is split in to four with a smaller splitting of about 0.14 MHz and a larger splitting of 1.67 MHz in (B + C)/2. Results for D2S and HDS isotopomers suggest that the smaller splitting is due to C2H4 tunneling and the larger splitting is due to internal rotation of H2S. The equilibrium structure shows S-H...pi bonding. (C) 2004 Elsevier B.V. All rights reserved.

机译：该来文报告了弱结合的C2H4-H2S配合物的旋转光谱，该复合物似乎是氢键键合的C2H4-H2O和范德华配合物C2H4-Ar的旋转光谱的复合物，先前已报道过。每个跃迁均分为四部分，在（B + C）/ 2中，较小的部分约为0.14 MHz，较大的部分为1.67 MHz。 D2S和HDS同位素异构体的结果表明，较小的裂解是由于C2H4隧穿，而较大的裂解是由于H2S的内部旋转。平衡结构显示S-H ... pi键。（C）2004 Elsevier B.V.保留所有权利。

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《Chemical Physics Letters》 |2004年第3期|共6页
作者
Goswami M; Mandal PK; Ramdass DJ; Arunan E;
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正文语种 eng
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TRANSFORM MICROWAVE SPECTROMETER; INTERNAL-ROTATION; MOLECULAR-STRUCTURE; POTENTIAL SURFACES; HCL DIMER; AB-INITIO; ETHYLENE; ISOTOPOMERS; ENERGIES; RADIUS;

机译：变换微波光谱仪;内部旋转;分子结构;势能表面;HCL二聚体;AB-INITIIO;乙烯;异聚体;能量;RADIUS;

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1. Rotational spectra and structure of the floppy C2H4-H2S complex: bridging hydrogen bonding and van der Waals interactions [J] . Goswami M, Mandal PK, Ramdass DJ, Chemical Physics Letters . 2004,第1a3期

机译：松散的C2H4-H2S配合物的旋转光谱和结构：桥接氢键和范德华相互作用
2. Are non-linear C-H center dot center dot center dot O contacts hydrogen bonds or Van der Waals interactions? Establishing the limits between hydrogen bonds and Van der Waals interactions [J] . Novoa JJ., Mota F., Lafuente P. Chemical Physics Letters . 1998,第4a6期

机译：非线性C-H中心点中心点中心点O是否接触氢键或范德华相互作用？建立氢键和范德华相互作用的极限
3. Are non-linear C-H center dot center dot center dot O contacts hydrogen bonds or Van der Waals interactions? Establishing the limits between hydrogen bonds and Van der Waals interactions [J] . Novoa JJ., Mota F., Lafuente P. Chemical Physics Letters . 1998,第4a6期

机译：非线性C-H中心点中心点中心点O是否接触氢键或范德华相互作用？建立氢键和范德华相互作用的极限
4. Vibrational coherence of DCl in cryogenic matrices : from van der Waals interaction to weak hydrogen bond [C] . C. Crepin, M. Broquier, A. Cuisset, Conference on Nonlinear Spectroscopy, Jul 8-9, 2002, Seattle, Washington, USA . 2002

机译：DCl在低温基质中的振动相干性：从范德华相互作用到弱氢键
5. Hydrogen bond, pi-pi stacking, and van der Waals interactions investigated with density functional theory. [D] . Fang, Yuan. 2013

机译：氢键，π-π堆积和范德华相互作用用密度泛函理论研究。
6. Hydrogen bonds and van der Waals forces as tools for the construction of a herringbone pattern in the crystal structure of hexane-16-diaminium hexane-16-diyl bis(hydrogen phosphonate) [O] . Guido J. Reiss, Martin van Megen, Walter Frank 2017

机译：氢键和范德华力作为在正己烷16-二氨基正己烷-16-二基双（氢膦酸）晶体结构中形成人字形图案的工具
7. Rotational spectra and structure of the floppy $C_{mathrm{2}}H_{mathrm{4}}-H_{mathrm{2}}S$ complex:bridging hydrogen bonding and van der Waals interactions [O] . Goswami M, Mandal PK, Ramdass DJ, 2004

机译：软盘$ C _ { mathrm {2}} H _ { mathrm {4}}-H _ { mathrm {2}} S $络合物的旋转光谱和结构：桥接氢键和范德华相互作用
8. Rotationally Resolved Electronic Spectra for the Ne-OH and Ne-OD van der Waals Complexes. [R] . Lin, Y., Kulkarni, S. K., Heaven, M. C. 1990

机译：Ne-OH和Ne-OD范德华复合物的旋转分辨电子光谱。

Rotational spectra and structure of the floppy C2H4-H2S complex: bridging hydrogen bonding and van der Waals interactions

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