High-resolution infrared and millimeter-wave spectroscopy of CH35Cl3: The v2=v6=1 combination level

Kód výsledku v IS VaVaI

<a href="https://www.isvavai.cz/riv?ss=detail&h=RIV%2F60461373%3A22340%2F22%3A43934139" target="_blank" >RIV/60461373:22340/22:43934139 - isvavai.cz</a>

Výsledek na webu

<a href="https://doi.org/10.1016/j.jqsrt.2022.108385" target="_blank" >https://doi.org/10.1016/j.jqsrt.2022.108385</a>

DOI - Digital Object Identifier

<a href="http://dx.doi.org/10.1016/j.jqsrt.2022.108385" target="_blank" >10.1016/j.jqsrt.2022.108385</a>

Jazyk výsledku

angličtina

Název v původním jazyce

High-resolution infrared and millimeter-wave spectroscopy of CH35Cl3: The v2=v6=1 combination level

Popis výsledku v původním jazyce

The v(2)=v(6) = 1 (similar to 936.5 cm(-1)) vibrational level of chloroform (CHCl3)-Cl-35 has been studied for the first time by high-resolution FTIR and millimeter-wave spectroscopy. Like the v(6) = 1 and v(3)=v(6) = 1 vibrations, the v(2)=v(6) = 1 level is characterized by an exceedingly small value of vertical bar C - B - C zeta vertical bar approximate to 2.88 x 10(-3) cm(-1). Hence, a global l(2,2) resonance connects the (k - 1, l(6) = -1) and (k + 1, l(6) = +1) sublevels. This quasi-generalized l(2,2) resonance is almost exclusively responsible of the appearance of the nu(2) + nu(6) combination band, with its Q-branches falling in a narrow region close to the band origin, together with its, partially resolved, clusters of K-lines on the P and R sides of the spectrum, for each value of J. Despite the weakness of the nu(2) + nu(6) band, more than 3000 infrared transitions have been assigned, with 2 &lt;= J &lt;= 102 and - 84 &lt;= K&quot;.Delta K &lt;= +89. These Fourier transform infrared data were combined with about 400 mm-wave transition frequencies in the v(2)=v(6) = 1 state, in a simultaneous fit. The results of the least-squares calculations gave, for instance (in cm(-1)), nu(0) = 936.507 616 1 (43), B = 0.109 702 546 5 (21), C = 0.057 000 223 3 (43), C zeta = -0.049 822 158 (74), and q(22) = -6.382 793 (93) x 10(-5).

Název v anglickém jazyce

High-resolution infrared and millimeter-wave spectroscopy of CH35Cl3: The v2=v6=1 combination level

Popis výsledku anglicky

The v(2)=v(6) = 1 (similar to 936.5 cm(-1)) vibrational level of chloroform (CHCl3)-Cl-35 has been studied for the first time by high-resolution FTIR and millimeter-wave spectroscopy. Like the v(6) = 1 and v(3)=v(6) = 1 vibrations, the v(2)=v(6) = 1 level is characterized by an exceedingly small value of vertical bar C - B - C zeta vertical bar approximate to 2.88 x 10(-3) cm(-1). Hence, a global l(2,2) resonance connects the (k - 1, l(6) = -1) and (k + 1, l(6) = +1) sublevels. This quasi-generalized l(2,2) resonance is almost exclusively responsible of the appearance of the nu(2) + nu(6) combination band, with its Q-branches falling in a narrow region close to the band origin, together with its, partially resolved, clusters of K-lines on the P and R sides of the spectrum, for each value of J. Despite the weakness of the nu(2) + nu(6) band, more than 3000 infrared transitions have been assigned, with 2 &lt;= J &lt;= 102 and - 84 &lt;= K&quot;.Delta K &lt;= +89. These Fourier transform infrared data were combined with about 400 mm-wave transition frequencies in the v(2)=v(6) = 1 state, in a simultaneous fit. The results of the least-squares calculations gave, for instance (in cm(-1)), nu(0) = 936.507 616 1 (43), B = 0.109 702 546 5 (21), C = 0.057 000 223 3 (43), C zeta = -0.049 822 158 (74), and q(22) = -6.382 793 (93) x 10(-5).

Druh

J_imp - Článek v periodiku v databázi Web of Science

CEP obor

—

OECD FORD obor

10300 - Physical sciences

Projekt

—

Návaznosti

I - Institucionalni podpora na dlouhodoby koncepcni rozvoj vyzkumne organizace

Rok uplatnění

2022

Kód důvěrnosti údajů

S - Úplné a pravdivé údaje o projektu nepodléhají ochraně podle zvláštních právních předpisů

Název periodika

JOURNAL OF QUANTITATIVE SPECTROSCOPY &amp; RADIATIVE TRANSFER

ISSN

0022-4073

e-ISSN

1879-1352

Svazek periodika

293

Číslo periodika v rámci svazku

December 2022

Stát vydavatele periodika

GB - Spojené království Velké Británie a Severního Irska

Počet stran výsledku

7

Strana od-do

nestránkováno

Kód UT WoS článku

000876401200004

EID výsledku v databázi Scopus

2-s2.0-85139291408