Accurate Experimental Structure of 1-Chloronaphthalene

被引：1

作者：

Pinacho, Pablo ^{[1
,2
]}

Gomez, Pablo ^{[1
]}

Lopez, Juan Carlos ^{[1
]}

Blanco, Susana ^{[1
]}

机构：

[1] Univ Valladolid, Dept Phys Chem & Inorgan Chem, IU CINQUIMA, Paseo Belen 7, Valladolid 747011, Spain

[2] Univ Basque Country UPV EHU, Dept Phys Chem, B Sarriena S-N, Leioa 48940, Spain

来源：

CHEMPHYSCHEM | 2024年 / 25卷 / 11期

关键词：

Microwave spectroscopy; Structure elucidation; Polychlorinated naphthalenes (PCNs); Jet cooled molecules; Pollutant; POLYCYCLIC AROMATIC-HYDROCARBONS; ROTATIONAL SPECTRUM; MOLECULAR-STRUCTURE; MICROWAVE-SPECTRA; NAPHTHALENE; CHLOROBENZENE; CRYSTAL;

D O I：

10.1002/cphc.202400072

中图分类号：

O64 [物理化学（理论化学）、化学物理学];

学科分类号：

070304 ; 081704 ;

摘要：

The structure of isolated 1-chloronaphthalene has been investigated in a supersonic expansion by high-resolution chirped-pulse Fourier transform microwave (CP-FTMW) spectroscopy in the 2-8 GHz frequency range. Accurate values of the rotational, centrifugal distortion, and nuclear quadrupole coupling constants for the only availabe conformer have been determined. The intensity of the spectrum allowed us to observe all the heavy atoms isotopologues in natural abundance, determining their rotational constants. From the extensive experimental dataset we derived accurate structures for 1-chloronaphthalene using different methodologies and compared with related compounds.

引用

页数：6

共 50 条

[21] Liquid-phase excess enthalpies for the binary mixtures of 1-chloronaphthalene + dichloroalkanes
Comelli, Fablo, 1600, (36):
[22] 1-Chloronaphthalene decomposition in different gas mixtures under electron beam irradiation
Sun, Yongxia
Chmielewski, A. G.
Bulka, S.
Zimek, Z.
RADIATION PHYSICS AND CHEMISTRY, 2007, 76 (11-12) : 1802 - 1805
[23] Complete dechlorination of 1-chloronaphthalene by electrochemical reduction with naphthalene radical anion as mediator
Matsunaga, A
Yasuhara, A
ENVIRONMENTAL SCIENCE & TECHNOLOGY, 2003, 37 (15) : 3435 - 3441
[24] Excimer formation of 1-chloronaphthalene in alkaline aqueous solutions containing γ-cyclodextrin or maltosyl-γ-cyclodextrin
Hamai, S
JOURNAL OF MATERIALS CHEMISTRY, 2005, 15 (27-28) : 2881 - 2888
[25] CHLORINE AS AN ACTIVATING GROUP IN AN ELECTROPHILIC SUBSTITUTION - FRIEDEL-CRAFTS ACETYLATION OF 1-CHLORONAPHTHALENE
GORE, PH
KHAN, IM
JOURNAL OF THE CHEMICAL SOCIETY-PERKIN TRANSACTIONS 1, 1979, (11): : 2779 - 2781
[26] 23% enhanced efficiency of polymer solar cells processed with 1-chloronaphthalene as the solvent additive
Hu, Xiaowen
Wang, Ming
Huang, Fei
Gong, Xiong
Cao, Yong
SYNTHETIC METALS, 2013, 164 : 1 - 5
[27] Increased biological removal of 1-chloronaphthalene as a result of exposure: A study of bacterial adaptation strategies
Smulek, Wojciech
Zdarta, Agata
Pacholak, Amanda
Runka, Tomasz
Kaczorek, Ewa
ECOTOXICOLOGY AND ENVIRONMENTAL SAFETY, 2019, 185
[28] Thermodynamics of chlorobenzene, or bromobenzene, or 1-chloronaphthalene or 1,2,4-trichlorobenzene plus alkane mixtures
Antonio Gonzalez, Juan
Felipe Sanz, Luis
Hevia, Fernando
Garcia de la Fuente, Isaias
Carlos Cobos, Jose
JOURNAL OF MOLECULAR LIQUIDS, 2022, 348
[29] MARK-HOUWINK RELATIONS FOR LINEAR POLYETHYLENE IN 1-CHLORONAPHTHALENE AND 1,2,4-TRICHLOROBENZENE
WAGNER, HL
HOEVE, CAJ
JOURNAL OF POLYMER SCIENCE PART B-POLYMER PHYSICS, 1973, 11 (06) : 1189 - 1200
[30] LIQUID-PHASE EXCESS-ENTHALPIES FOR THE BINARY-MIXTURES OF 1-CHLORONAPHTHALENE + DICHLOROALKANES
COMELLI, F
FRANCESCONI, R
KEHIAIAN, HV
JOURNAL OF CHEMICAL AND ENGINEERING DATA, 1991, 36 (04): : 485 - 487

← 1 2 3 4 5 →