کد مقاله | کد نشریه | سال انتشار | مقاله انگلیسی | نسخه تمام متن |
---|---|---|---|---|
5376280 | 1504318 | 2007 | 10 صفحه PDF | دانلود رایگان |
عنوان انگلیسی مقاله ISI
Is Cd2 truly a van der Waals molecule? Analysis of rotational profiles recorded at the A0u+, B1uâX0g+ transitions
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کلمات کلیدی
موضوعات مرتبط
مهندسی و علوم پایه
شیمی
شیمی تئوریک و عملی
پیش نمایش صفحه اول مقاله
چکیده انگلیسی
Rotational profiles of the 228Cd2 isotopomer recorded in the (Ï
â², Ï
â³) = (26, 0), (27, 0), (42, 0), (45, 0), (46, 0), (48, 0) vibrational bands of the A0u+âX0g+ transition were analysed. As a result, the BÏ
=26â²=0.0311(5)cm-1, BÏ
=27â²=0.0309(5)cm-1, BÏ
=42â²=0.0279(5)cm-1, BÏ
=45â²=0.0278(5)cm-1, BÏ
=46â²=0.0275(5)cm-1 and BÏ
=48â²=0.0272(5)cm-1 excited- as well as the BÏ
=0â³=0.0207(5)cm-1 ground-state rotational constants of the (114Cd)2 were determined. The analysis allowed determining the absolute values for the Reâ²(A0u+)=2.71(7)Ã
and Reâ³=3.76(4)Ã
excited- and ground-state bond lengths, respectively. The obtained result - the Reâ³ - distinctly shorter than that obtained with assumption of pure ground-state van der Waals bonding, supports a theoretical prediction of a covalent admixture to the bonding. Analysis of the partially-resolved rotational profile recorded in the (Ï
â², Ï
â³) = (38, 0) band of the same isotopomer recorded at the B1uâX10g+ transition allowed estimating the BÏ
=38â²=0.0317(2)cm-1 rotational constant in the B1u state.
ناشر
Database: Elsevier - ScienceDirect (ساینس دایرکت)
Journal: Chemical Physics - Volume 340, Issues 1â3, 9 November 2007, Pages 171-180
Journal: Chemical Physics - Volume 340, Issues 1â3, 9 November 2007, Pages 171-180
نویسندگان
M. Strojecki, M. Ruszczak, M. Åukomski, J. Koperski,