Lamb-dip millimeter-wave spectroscopy of HCP:: Experimental and theoretical determination of 31P nuclear spin-rotation coupling constant and magnetic shielding

被引：17

作者：

Bizzocchi, L ^{[1
]}

Esposti, CD ^{[1
]}

Dore, L ^{[1
]}

Puzzarini, C ^{[1
]}

机构：

[1] Univ Bologna, Dipartimento Chim G Ciamician, I-40126 Bologna, Italy

来源：

CHEMICAL PHYSICS LETTERS | 2005年 / 408卷 / 1-3期

关键词：

D O I：

10.1016/j.cplett.2005.03.134

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 semi-stable HCP molecule has been produced by gas phase copyrolysis of phosphine and chloroform. The three rotational transitions J = 2 <- 1, 3 <- 2, and 4 <- 3 have been recorded with sub-Doppler resolution using the Lamb-dip technique. The hyperfine structure due to the magnetic coupling between rotation and phosphorus nuclear spin has been resolved, yielding the value of the phosphorus spin-rotation constant, C(P) = 43.64 +/- 0.15 kHz, from which the corresponding absolute magnetic shielding has been derived: sigma(P) = 373 +/- 2 ppm. Theoretical values of C(P) and sigma(P) have also been calculated for HCP and NP at the CCSD(T) level of theory. (c) 2005 Elsevier B.V. All rights reserved.

引用

页码：13 / 18

页数：6

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