✦ LIBER ✦

Prediction of vibrational constants for gas-phase heteronuclear diatomics and atoms adsorbed on surfaces

✍ Scribed by P.L. Goodfriend

Publisher: Elsevier Science
Year: 1983
Tongue: English
Weight: 221 KB
Volume: 98
Category: Article
ISSN: 0009-2614
DOI: 10.1016/0009-2614(83)80197-3

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✦ Synopsis

An empirical relationship is presented for predicting vibrational constailts for gas-phase heteronuclear diatomic molecules and atoms adsorbed on surfaces. Excellent agreement with experimental values is obtained. The method is used for predicting the unknown vibrational constants of AgS and CTe.

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Predicting PH vibrations of gas phase molecules and surface-adsorbed species using bond length-frequency correlations

✍ Ujjal Das; Krishnan Raghavachari 📂 Article 📅 2009 🏛 John Wiley and Sons 🌐 English ⚖ 209 KB

## Abstract The high frequency XH (e.g., X = C, Si) stretching modes in small molecules are only slightly perturbed by other vibrational modes present in the system. The isolated frequencies, in these cases, exhibit a linear relationship with the corresponding bond lengths. Here, we study such a bo